REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1j8f_1_B DATA FIRST_RESID 34 DATA SEQUENCE GEADMDFLRN LFXXXXXXXX XXXRLLDELT LEGVARYMQS ERCRRVICLV DATA SEQUENCE GAGISTSAGI PDFRSPSTGL YDNLEKYHLP YPEAIFEISY FKKHPEPFFA DATA SEQUENCE LAKELYPGQF KPTICHYFMR LLKDKGLLLR CYTQNIDTLE RIAGLEQEDL DATA SEQUENCE VEAHGTFYTS HCVSASCRHE YPLSWMKEKI FSEVTPKCED CQSLVKPDIV DATA SEQUENCE FFGESLPARF FSCMQSDFLK VDLLLVMGTS LQVQPFASLI SKAPLSTPRL DATA SEQUENCE LINKEKAGQS DPFLGMIMGL GGGMDFDSKK AYRDVAWLGE CDQGCLALAE DATA SEQUENCE LLGWKKELED LVRREHASID AQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 34 G C 0.000 174.923 174.900 0.039 0.000 0.946 34 G CA 0.000 45.114 45.100 0.023 0.000 0.502 35 E N -0.087 120.135 120.200 0.038 0.000 2.153 35 E HA -0.320 nan 4.350 nan 0.000 0.194 35 E C 2.334 178.976 176.600 0.069 0.000 0.988 35 E CA 2.610 59.039 56.400 0.049 0.000 0.811 35 E CB 0.005 29.729 29.700 0.039 0.000 0.746 35 E HN 0.304 8.682 8.360 0.029 0.000 0.466 36 A N -0.294 122.564 122.820 0.064 0.000 1.902 36 A HA -0.230 nan 4.320 nan 0.000 0.217 36 A C 1.848 179.508 177.584 0.126 0.000 1.181 36 A CA 3.241 55.328 52.037 0.083 0.000 0.623 36 A CB -1.109 17.922 19.000 0.050 0.000 0.818 36 A HN 0.179 8.344 8.150 0.047 0.013 0.443 37 D N -1.042 119.418 120.400 0.100 0.000 2.144 37 D HA -0.223 nan 4.640 nan 0.000 0.200 37 D C 2.296 178.726 176.300 0.218 0.000 0.978 37 D CA 3.227 57.313 54.000 0.145 0.000 0.833 37 D CB -0.553 40.297 40.800 0.083 0.000 0.961 37 D HN -0.619 7.791 8.370 0.066 0.000 0.470 38 M N -0.690 118.998 119.600 0.147 0.000 2.175 38 M HA -0.239 nan 4.480 nan 0.000 0.264 38 M C 2.182 178.574 176.300 0.153 0.000 1.063 38 M CA 1.908 57.289 55.300 0.134 0.000 1.119 38 M CB -1.052 31.599 32.600 0.084 0.000 1.377 38 M HN -0.320 7.932 8.290 0.111 0.105 0.415 39 D N 0.425 120.919 120.400 0.155 0.000 2.117 39 D HA -0.258 nan 4.640 nan 0.000 0.197 39 D C 2.397 178.818 176.300 0.202 0.000 0.987 39 D CA 3.323 57.413 54.000 0.149 0.000 0.829 39 D CB -0.565 40.316 40.800 0.134 0.000 0.961 39 D HN 0.051 8.422 8.370 0.147 0.087 0.460 40 F N 1.583 121.603 119.950 0.116 0.000 2.069 40 F HA -0.395 nan 4.527 nan 0.000 0.298 40 F C 1.336 177.250 175.800 0.190 0.000 1.113 40 F CA 3.494 61.588 58.000 0.156 0.000 1.214 40 F CB 0.169 39.252 39.000 0.138 0.000 0.978 40 F HN -0.304 8.204 8.300 0.370 0.013 0.474 41 L N -2.876 118.463 121.223 0.193 0.000 2.093 41 L HA -0.477 nan 4.340 nan 0.000 0.208 41 L C 2.082 179.070 176.870 0.197 0.000 1.085 41 L CA 2.814 57.763 54.840 0.181 0.000 0.755 41 L CB -0.503 41.709 42.059 0.255 0.000 0.904 41 L HN -0.322 8.129 8.230 0.368 0.000 0.435 42 R N -0.926 119.652 120.500 0.130 0.000 2.092 42 R HA -0.386 nan 4.340 nan 0.000 0.231 42 R C 1.451 177.777 176.300 0.044 0.000 1.119 42 R CA 3.310 59.469 56.100 0.097 0.000 0.970 42 R CB -0.199 30.142 30.300 0.068 0.000 0.864 42 R HN 0.125 8.401 8.270 0.135 0.075 0.440 43 N N -3.236 115.469 118.700 0.007 0.000 2.309 43 N HA -0.136 nan 4.740 nan 0.000 0.182 43 N C 1.655 177.091 175.510 -0.122 0.000 1.018 43 N CA 2.389 55.411 53.050 -0.046 0.000 0.876 43 N CB 0.280 38.755 38.487 -0.020 0.000 0.972 43 N HN -0.294 8.094 8.380 0.030 0.009 0.434 44 L N -2.262 118.854 121.223 -0.178 0.000 2.209 44 L HA -0.157 nan 4.340 nan 0.000 0.207 44 L C 0.644 177.191 176.870 -0.537 0.000 1.094 44 L CA 2.298 56.921 54.840 -0.363 0.000 0.790 44 L CB 0.597 42.349 42.059 -0.512 0.000 0.932 44 L HN -0.771 7.248 8.230 -0.133 0.131 0.447 58 L N -4.158 117.113 121.223 0.080 0.000 2.568 58 L HA 0.345 nan 4.340 nan 0.000 0.257 58 L C -0.836 176.025 176.870 -0.015 0.000 1.024 58 L CA -0.838 53.993 54.840 -0.015 0.000 0.854 58 L CB 1.222 43.316 42.059 0.057 0.000 1.460 58 L HN -0.833 7.457 8.230 0.099 0.000 0.409 59 L N -0.602 120.570 121.223 -0.084 0.000 2.439 59 L HA 0.083 nan 4.340 nan 0.000 0.269 59 L C 0.544 177.424 176.870 0.018 0.000 1.179 59 L CA 0.583 55.399 54.840 -0.041 0.000 0.828 59 L CB 0.253 42.261 42.059 -0.085 0.000 1.106 59 L HN 0.416 8.578 8.230 -0.114 0.000 0.467 60 D N 0.777 121.200 120.400 0.038 0.000 2.144 60 D HA -0.213 nan 4.640 nan 0.000 0.199 60 D C -0.836 175.480 176.300 0.027 0.000 0.984 60 D CA 2.082 56.103 54.000 0.036 0.000 0.834 60 D CB 0.347 41.169 40.800 0.038 0.000 0.955 60 D HN 0.616 9.016 8.370 0.051 0.000 0.465 61 E N -5.571 114.642 120.200 0.021 0.000 2.407 61 E HA 0.165 nan 4.350 nan 0.000 0.279 61 E C -1.446 175.164 176.600 0.016 0.000 1.012 61 E CA -1.341 55.071 56.400 0.021 0.000 0.800 61 E CB 2.566 32.280 29.700 0.023 0.000 1.276 61 E HN -0.764 7.598 8.360 0.020 0.011 0.452 62 L N 1.522 122.758 121.223 0.021 0.000 2.480 62 L HA 0.073 nan 4.340 nan 0.000 0.243 62 L C -0.972 175.922 176.870 0.040 0.000 1.315 62 L CA -0.236 54.619 54.840 0.025 0.000 1.231 62 L CB -2.257 39.824 42.059 0.036 0.000 1.444 62 L HN 0.410 8.654 8.230 0.025 0.000 0.409 63 T N -5.237 109.340 114.554 0.039 0.000 2.841 63 T HA 0.268 nan 4.350 nan 0.000 0.296 63 T C 0.067 174.800 174.700 0.055 0.000 1.166 63 T CA -1.731 60.404 62.100 0.058 0.000 1.007 63 T CB 3.332 72.231 68.868 0.051 0.000 1.253 63 T HN -0.449 7.748 8.240 0.026 0.058 0.511 64 L N 1.461 122.735 121.223 0.085 0.000 2.131 64 L HA -0.254 nan 4.340 nan 0.000 0.210 64 L C 1.206 178.073 176.870 -0.006 0.000 1.092 64 L CA 3.207 58.062 54.840 0.027 0.000 0.759 64 L CB -0.824 41.247 42.059 0.021 0.000 0.903 64 L HN 0.424 8.738 8.230 0.141 0.000 0.435 65 E N -1.448 118.761 120.200 0.015 0.000 2.110 65 E HA -0.311 nan 4.350 nan 0.000 0.193 65 E C 2.396 179.001 176.600 0.008 0.000 0.988 65 E CA 3.123 59.525 56.400 0.003 0.000 0.804 65 E CB -0.758 28.951 29.700 0.015 0.000 0.745 65 E HN 0.252 8.618 8.360 0.042 0.020 0.458 66 G N -0.696 108.115 108.800 0.019 0.000 2.402 66 G HA2 -0.277 nan 3.960 nan 0.000 0.216 66 G HA3 -0.277 nan 3.960 nan 0.000 0.216 66 G C 1.626 176.552 174.900 0.042 0.000 1.162 66 G CA 2.095 47.212 45.100 0.028 0.000 0.777 66 G HN -0.482 7.728 8.290 0.023 0.094 0.539 67 V N 3.222 123.150 119.914 0.023 0.000 2.343 67 V HA -0.401 nan 4.120 nan 0.000 0.247 67 V C 2.037 178.166 176.094 0.059 0.000 1.051 67 V CA 3.645 65.972 62.300 0.044 0.000 1.036 67 V CB -0.950 30.875 31.823 0.004 0.000 0.654 67 V HN -0.148 7.971 8.190 0.012 0.078 0.451 68 A N -1.107 121.705 122.820 -0.014 0.000 1.883 68 A HA -0.372 nan 4.320 nan 0.000 0.217 68 A C 2.091 179.650 177.584 -0.042 0.000 1.186 68 A CA 3.408 55.401 52.037 -0.074 0.000 0.624 68 A CB -0.753 18.179 19.000 -0.113 0.000 0.822 68 A HN 0.352 8.488 8.150 -0.025 0.000 0.444 69 R N -2.548 117.954 120.500 0.004 0.000 2.096 69 R HA -0.374 nan 4.340 nan 0.000 0.235 69 R C 2.385 178.716 176.300 0.051 0.000 1.127 69 R CA 3.049 59.160 56.100 0.018 0.000 0.968 69 R CB -0.052 30.269 30.300 0.035 0.000 0.861 69 R HN -0.426 7.851 8.270 0.011 0.000 0.440 70 Y N 1.231 121.514 120.300 -0.029 0.000 2.200 70 Y HA -0.345 nan 4.550 nan 0.000 0.290 70 Y C 2.089 177.980 175.900 -0.016 0.000 1.137 70 Y CA 3.130 61.220 58.100 -0.016 0.000 1.163 70 Y CB 0.062 38.515 38.460 -0.013 0.000 0.988 70 Y HN -0.410 7.903 8.280 0.201 0.087 0.518 71 M N -1.887 117.699 119.600 -0.022 0.000 2.460 71 M HA -0.345 nan 4.480 nan 0.000 0.263 71 M C 1.191 177.426 176.300 -0.108 0.000 1.071 71 M CA 2.943 58.186 55.300 -0.095 0.000 1.096 71 M CB -0.299 32.276 32.600 -0.043 0.000 1.408 71 M HN -0.075 8.190 8.290 0.085 0.077 0.463 72 Q N -2.206 117.537 119.800 -0.095 0.000 2.398 72 Q HA -0.037 nan 4.340 nan 0.000 0.204 72 Q C 0.124 176.079 176.000 -0.074 0.000 0.932 72 Q CA 0.354 56.123 55.803 -0.057 0.000 0.916 72 Q CB 0.448 29.162 28.738 -0.041 0.000 1.024 72 Q HN -0.232 7.825 8.270 -0.082 0.164 0.504 73 S N 0.843 116.460 115.700 -0.138 0.000 2.593 73 S HA -0.001 nan 4.470 nan 0.000 0.269 73 S C 0.927 175.440 174.600 -0.144 0.000 1.334 73 S CA 0.219 58.338 58.200 -0.135 0.000 1.015 73 S CB 1.673 64.777 63.200 -0.161 0.000 0.912 73 S HN -0.592 7.447 8.310 -0.183 0.162 0.541 74 E N 2.601 122.745 120.200 -0.094 0.000 2.268 74 E HA -0.171 nan 4.350 nan 0.000 0.195 74 E C 0.557 177.099 176.600 -0.097 0.000 0.995 74 E CA 2.592 58.947 56.400 -0.075 0.000 0.836 74 E CB -0.762 28.912 29.700 -0.044 0.000 0.763 74 E HN 0.652 8.967 8.360 -0.075 0.000 0.491 75 R N -2.340 118.078 120.500 -0.137 0.000 2.090 75 R HA -0.058 nan 4.340 nan 0.000 0.228 75 R C 0.168 176.354 176.300 -0.190 0.000 1.110 75 R CA 1.428 57.449 56.100 -0.131 0.000 0.973 75 R CB 0.256 30.496 30.300 -0.099 0.000 0.869 75 R HN -0.325 7.788 8.270 -0.157 0.063 0.440 76 C N -1.460 117.623 119.300 -0.362 0.000 2.423 76 C HA 0.052 nan 4.460 nan 0.000 0.378 76 C C 0.247 175.159 174.990 -0.130 0.000 1.068 76 C CA -0.173 58.651 59.018 -0.323 0.000 1.371 76 C CB -2.380 25.045 27.740 -0.524 0.000 1.856 76 C HN -0.154 7.816 8.230 -0.434 0.000 0.523 77 R N 4.453 124.911 120.500 -0.070 0.000 2.221 77 R HA 0.107 nan 4.340 nan 0.000 0.195 77 R C -0.397 175.890 176.300 -0.023 0.000 0.956 77 R CA 0.556 56.632 56.100 -0.040 0.000 1.064 77 R CB 1.415 31.694 30.300 -0.035 0.000 1.049 77 R HN -0.111 8.345 8.270 -0.058 -0.221 0.534 78 R N -0.461 120.029 120.500 -0.016 0.000 2.451 78 R HA 0.289 nan 4.340 nan 0.000 0.307 78 R C -1.751 174.546 176.300 -0.005 0.000 0.965 78 R CA -0.846 55.244 56.100 -0.018 0.000 0.865 78 R CB 2.423 32.703 30.300 -0.034 0.000 1.174 78 R HN -0.199 8.356 8.270 -0.012 -0.292 0.455 79 V N 5.497 125.415 119.914 0.006 0.000 2.513 79 V HA 0.806 nan 4.120 nan 0.000 0.299 79 V C -1.321 174.772 176.094 -0.001 0.000 1.035 79 V CA -1.215 61.101 62.300 0.026 0.000 0.889 79 V CB 2.563 34.429 31.823 0.072 0.000 0.988 79 V HN 1.018 9.209 8.190 0.002 0.000 0.440 80 I N 5.017 125.573 120.570 -0.022 0.000 2.433 80 I HA 0.595 nan 4.170 nan 0.000 0.292 80 I C -1.503 174.621 176.117 0.012 0.000 1.001 80 I CA -1.526 59.758 61.300 -0.026 0.000 1.119 80 I CB 3.248 41.154 38.000 -0.157 0.000 1.289 80 I HN 0.716 8.914 8.210 -0.021 0.000 0.438 81 C N 7.172 126.499 119.300 0.045 0.000 2.355 81 C HA 0.805 nan 4.460 nan 0.000 0.332 81 C C -1.260 173.718 174.990 -0.020 0.000 1.255 81 C CA -1.524 57.506 59.018 0.019 0.000 1.792 81 C CB 0.987 28.754 27.740 0.045 0.000 2.300 81 C HN 0.728 8.999 8.230 0.068 0.000 0.515 82 L N 3.843 124.967 121.223 -0.165 0.000 2.319 82 L HA 0.795 nan 4.340 nan 0.000 0.281 82 L C -1.638 175.066 176.870 -0.277 0.000 1.005 82 L CA -0.824 53.715 54.840 -0.502 0.000 0.828 82 L CB 0.946 42.438 42.059 -0.945 0.000 1.227 82 L HN 0.901 9.048 8.230 -0.137 0.000 0.415 83 V N -1.156 118.740 119.914 -0.030 0.000 2.914 83 V HA 0.957 nan 4.120 nan 0.000 0.314 83 V C -1.791 174.487 176.094 0.306 0.000 1.084 83 V CA -3.425 58.945 62.300 0.117 0.000 0.963 83 V CB 3.544 35.401 31.823 0.057 0.000 1.025 83 V HN 0.695 8.911 8.190 0.043 0.000 0.432 84 G N -0.534 108.401 108.800 0.224 0.000 3.176 84 G HA2 0.315 nan 3.960 nan 0.000 0.272 84 G HA3 0.315 nan 3.960 nan 0.000 0.272 84 G C -1.117 173.877 174.900 0.157 0.000 1.349 84 G CA -0.413 44.821 45.100 0.222 0.000 0.953 84 G HN -0.052 8.327 8.290 0.148 0.000 0.559 85 A N 0.441 123.352 122.820 0.152 0.000 1.986 85 A HA -0.164 nan 4.320 nan 0.000 0.220 85 A C 2.478 180.123 177.584 0.101 0.000 1.171 85 A CA 2.946 55.068 52.037 0.140 0.000 0.640 85 A CB -0.269 18.821 19.000 0.149 0.000 0.811 85 A HN 0.415 8.658 8.150 0.155 0.000 0.451 86 G N -2.484 106.368 108.800 0.087 0.000 2.498 86 G HA2 -0.214 nan 3.960 nan 0.000 0.219 86 G HA3 -0.214 nan 3.960 nan 0.000 0.219 86 G C 0.594 175.524 174.900 0.050 0.000 1.119 86 G CA 1.301 46.439 45.100 0.063 0.000 0.766 86 G HN -0.133 8.186 8.290 0.100 0.031 0.552 87 I N -7.446 113.149 120.570 0.042 0.000 3.684 87 I HA 0.122 nan 4.170 nan 0.000 0.304 87 I C -0.338 175.826 176.117 0.079 0.000 1.278 87 I CA 0.680 61.972 61.300 -0.012 0.000 1.272 87 I CB -0.159 37.743 38.000 -0.163 0.000 1.029 87 I HN -0.542 7.666 8.210 0.058 0.037 0.458 88 S N -0.855 114.923 115.700 0.129 0.000 2.578 88 S HA 0.101 nan 4.470 nan 0.000 0.228 88 S C 1.328 175.954 174.600 0.043 0.000 1.022 88 S CA 0.597 58.897 58.200 0.167 0.000 0.967 88 S CB 1.370 64.666 63.200 0.161 0.000 0.914 88 S HN -0.384 7.810 8.310 0.097 0.175 0.515 89 T N 3.936 118.508 114.554 0.031 0.000 2.720 89 T HA -0.240 nan 4.350 nan 0.000 0.268 89 T C 2.055 176.764 174.700 0.015 0.000 1.037 89 T CA 4.542 66.638 62.100 -0.006 0.000 1.144 89 T CB -0.501 68.372 68.868 0.008 0.000 0.864 89 T HN -0.355 7.917 8.240 0.052 0.000 0.444 90 S N 1.800 117.536 115.700 0.060 0.000 2.474 90 S HA -0.129 nan 4.470 nan 0.000 0.235 90 S C 0.632 175.297 174.600 0.109 0.000 0.997 90 S CA 2.446 60.697 58.200 0.085 0.000 0.949 90 S CB -0.753 62.511 63.200 0.106 0.000 0.766 90 S HN 0.087 8.441 8.310 0.072 0.000 0.517 91 A N -0.459 122.424 122.820 0.103 0.000 2.123 91 A HA 0.123 nan 4.320 nan 0.000 0.214 91 A C 0.346 178.020 177.584 0.150 0.000 1.152 91 A CA 0.067 52.191 52.037 0.144 0.000 0.728 91 A CB 0.080 19.161 19.000 0.134 0.000 0.814 91 A HN -0.507 7.524 8.150 0.081 0.168 0.464 92 G N -3.670 105.137 108.800 0.011 0.000 2.184 92 G HA2 -0.193 nan 3.960 nan 0.000 0.206 92 G HA3 -0.193 nan 3.960 nan 0.000 0.206 92 G C -0.091 174.639 174.900 -0.284 0.000 0.995 92 G CA -0.342 44.774 45.100 0.027 0.000 0.651 92 G HN -0.475 7.630 8.290 -0.021 0.172 0.511 93 I N 2.884 123.079 120.570 -0.625 0.000 2.683 93 I HA -0.023 nan 4.170 nan 0.000 0.286 93 I C -0.784 175.056 176.117 -0.461 0.000 1.175 93 I CA -2.610 58.239 61.300 -0.751 0.000 1.429 93 I CB -1.001 36.720 38.000 -0.466 0.000 1.371 93 I HN -0.619 7.318 8.210 -0.454 0.000 0.569 94 P HA 0.062 nan 4.420 nan 0.000 0.272 94 P C -1.742 175.117 177.300 -0.735 0.000 1.240 94 P CA -0.653 62.114 63.100 -0.555 0.000 0.791 94 P CB 0.762 32.145 31.700 -0.527 0.000 0.978 95 D N -0.330 119.826 120.400 -0.407 0.000 2.422 95 D HA -0.010 nan 4.640 nan 0.000 0.227 95 D C 0.860 177.032 176.300 -0.213 0.000 1.190 95 D CA -1.217 52.640 54.000 -0.238 0.000 0.905 95 D CB -0.454 40.292 40.800 -0.090 0.000 1.034 95 D HN 0.142 8.339 8.370 -0.289 0.000 0.507 96 F N 4.834 124.838 119.950 0.090 0.000 2.494 96 F HA -0.292 nan 4.527 nan 0.000 0.298 96 F C 1.005 176.948 175.800 0.238 0.000 1.106 96 F CA 1.994 60.102 58.000 0.180 0.000 1.452 96 F CB -0.163 38.963 39.000 0.210 0.000 1.085 96 F HN -0.174 7.969 8.300 -0.262 0.000 0.569 97 R N -1.842 118.815 120.500 0.261 0.000 2.148 97 R HA -0.152 nan 4.340 nan 0.000 0.223 97 R C 0.263 176.668 176.300 0.175 0.000 1.088 97 R CA 1.485 57.701 56.100 0.193 0.000 0.985 97 R CB 0.513 30.887 30.300 0.124 0.000 0.880 97 R HN -0.388 8.175 8.270 0.185 -0.181 0.451 98 S N -3.277 112.514 115.700 0.151 0.000 2.849 98 S HA 0.266 nan 4.470 nan 0.000 0.141 98 S C -2.086 172.550 174.600 0.060 0.000 1.109 98 S CA -1.580 56.694 58.200 0.123 0.000 1.106 98 S CB 0.764 64.010 63.200 0.076 0.000 1.637 98 S HN -0.402 7.957 8.310 0.116 0.021 0.457 99 P HA 0.192 nan 4.420 nan 0.000 0.280 99 P C -0.997 176.286 177.300 -0.028 0.000 1.244 99 P CA 0.037 63.100 63.100 -0.062 0.000 0.784 99 P CB 0.562 32.155 31.700 -0.178 0.000 0.913 100 S N -0.096 115.587 115.700 -0.029 0.000 2.575 100 S HA 0.060 nan 4.470 nan 0.000 0.215 100 S C 1.175 175.763 174.600 -0.020 0.000 0.966 100 S CA 0.613 58.806 58.200 -0.011 0.000 0.911 100 S CB 0.380 63.577 63.200 -0.005 0.000 0.780 100 S HN -0.040 8.244 8.310 -0.043 0.000 0.514 101 T N -0.297 114.232 114.554 -0.041 0.000 3.081 101 T HA 0.140 nan 4.350 nan 0.000 0.250 101 T C -0.070 174.601 174.700 -0.048 0.000 1.100 101 T CA 0.320 62.397 62.100 -0.038 0.000 1.038 101 T CB -0.314 68.530 68.868 -0.040 0.000 0.962 101 T HN -0.067 8.144 8.240 -0.049 0.000 0.516 102 G N 1.465 110.227 108.800 -0.063 0.000 2.333 102 G HA2 -0.261 nan 3.960 nan 0.000 0.296 102 G HA3 -0.261 nan 3.960 nan 0.000 0.296 102 G C 0.449 175.286 174.900 -0.105 0.000 1.059 102 G CA 0.111 45.179 45.100 -0.053 0.000 1.050 102 G HN 0.014 8.211 8.290 -0.073 0.050 0.508 103 L N -4.068 117.000 121.223 -0.257 0.000 2.549 103 L HA -0.169 nan 4.340 nan 0.000 0.229 103 L C 0.380 177.130 176.870 -0.200 0.000 1.158 103 L CA 1.754 56.448 54.840 -0.244 0.000 0.842 103 L CB -0.513 41.374 42.059 -0.286 0.000 0.952 103 L HN -0.199 7.839 8.230 -0.320 0.000 0.452 104 Y N -5.460 114.871 120.300 0.053 0.000 2.466 104 Y HA -0.026 nan 4.550 nan 0.000 0.272 104 Y C 0.894 176.806 175.900 0.021 0.000 1.169 104 Y CA -0.630 57.491 58.100 0.035 0.000 1.285 104 Y CB -0.123 38.353 38.460 0.028 0.000 1.078 104 Y HN -0.451 7.569 8.280 -0.289 0.087 0.523 105 D N 1.603 122.070 120.400 0.111 0.000 2.104 105 D HA -0.289 nan 4.640 nan 0.000 0.194 105 D C 1.593 177.929 176.300 0.059 0.000 0.994 105 D CA 4.427 58.467 54.000 0.065 0.000 0.830 105 D CB -0.519 40.297 40.800 0.026 0.000 0.959 105 D HN 0.088 8.302 8.370 0.059 0.191 0.452 106 N N -1.965 116.777 118.700 0.070 0.000 2.635 106 N HA -0.219 nan 4.740 nan 0.000 0.191 106 N C 0.691 176.305 175.510 0.174 0.000 1.155 106 N CA 1.560 54.662 53.050 0.087 0.000 0.927 106 N CB -0.113 38.429 38.487 0.092 0.000 0.976 106 N HN 0.088 8.506 8.380 0.063 0.000 0.448 107 L N -3.975 117.355 121.223 0.179 0.000 2.463 107 L HA 0.036 nan 4.340 nan 0.000 0.219 107 L C 1.513 178.458 176.870 0.124 0.000 1.088 107 L CA 0.770 55.770 54.840 0.267 0.000 0.849 107 L CB 0.206 42.372 42.059 0.178 0.000 1.012 107 L HN -0.164 7.963 8.230 0.145 0.190 0.468 108 E N 0.737 120.934 120.200 -0.005 0.000 2.108 108 E HA -0.475 nan 4.350 nan 0.000 0.203 108 E C 2.279 178.705 176.600 -0.290 0.000 1.022 108 E CA 3.222 59.538 56.400 -0.139 0.000 0.823 108 E CB -0.831 28.806 29.700 -0.106 0.000 0.744 108 E HN -0.452 7.928 8.360 0.033 0.000 0.456 109 K N -1.976 118.283 120.400 -0.235 0.000 2.280 109 K HA -0.242 nan 4.320 nan 0.000 0.202 109 K C 2.813 179.310 176.600 -0.171 0.000 1.047 109 K CA 2.249 58.383 56.287 -0.254 0.000 0.942 109 K CB -0.638 31.664 32.500 -0.330 0.000 0.739 109 K HN 0.198 8.321 8.250 -0.175 0.023 0.457 110 Y N -2.358 117.956 120.300 0.023 0.000 2.546 110 Y HA -0.212 nan 4.550 nan 0.000 0.287 110 Y C -0.690 175.301 175.900 0.151 0.000 1.158 110 Y CA 0.355 58.521 58.100 0.109 0.000 1.307 110 Y CB -0.228 38.285 38.460 0.088 0.000 1.036 110 Y HN -0.550 7.540 8.280 -0.045 0.163 0.532 111 H N -4.023 115.108 119.070 0.102 0.000 2.496 111 H HA -0.348 nan 4.556 nan 0.000 0.323 111 H C -0.401 174.924 175.328 -0.005 0.000 1.054 111 H CA 0.505 56.573 56.048 0.034 0.000 1.095 111 H CB -2.954 26.821 29.762 0.022 0.000 1.595 111 H HN -0.680 7.437 8.280 -0.198 0.044 0.388 112 L N 0.563 121.776 121.223 -0.017 0.000 2.499 112 L HA -0.103 nan 4.340 nan 0.000 0.273 112 L C -0.110 176.620 176.870 -0.232 0.000 1.195 112 L CA -0.101 54.608 54.840 -0.218 0.000 0.882 112 L CB -0.226 41.629 42.059 -0.340 0.000 1.133 112 L HN 0.112 8.318 8.230 -0.040 0.000 0.483 113 P HA -0.121 nan 4.420 nan 0.000 0.218 113 P C -1.971 175.328 177.300 -0.002 0.000 1.148 113 P CA 1.665 64.689 63.100 -0.126 0.000 0.822 113 P CB 0.288 31.943 31.700 -0.074 0.000 0.784 114 Y N -9.706 110.463 120.300 -0.220 0.000 2.604 114 Y HA 0.291 nan 4.550 nan 0.000 0.331 114 Y C -1.928 173.817 175.900 -0.259 0.000 1.158 114 Y CA -3.334 54.644 58.100 -0.204 0.000 1.056 114 Y CB -0.812 37.535 38.460 -0.190 0.000 1.330 114 Y HN -0.649 7.100 8.280 -0.812 0.044 0.457 115 P HA -0.307 nan 4.420 nan 0.000 0.216 115 P C 1.047 178.198 177.300 -0.249 0.000 1.150 115 P CA 2.107 65.080 63.100 -0.212 0.000 0.843 115 P CB 0.434 32.054 31.700 -0.134 0.000 0.787 116 E N -1.767 118.378 120.200 -0.091 0.000 2.268 116 E HA -0.202 nan 4.350 nan 0.000 0.195 116 E C 1.561 178.050 176.600 -0.185 0.000 0.995 116 E CA 1.806 58.160 56.400 -0.078 0.000 0.836 116 E CB -0.601 28.981 29.700 -0.196 0.000 0.763 116 E HN 0.480 8.855 8.360 0.065 0.024 0.491 117 A N -0.154 122.292 122.820 -0.622 0.000 1.940 117 A HA -0.235 nan 4.320 nan 0.000 0.219 117 A C 2.079 179.309 177.584 -0.591 0.000 1.176 117 A CA 2.825 54.313 52.037 -0.915 0.000 0.631 117 A CB -0.967 16.864 19.000 -1.947 0.000 0.814 117 A HN -0.338 7.280 8.150 -0.827 0.035 0.446 118 I N -2.280 117.925 120.570 -0.609 0.000 2.315 118 I HA -0.398 nan 4.170 nan 0.000 0.251 118 I C 0.168 175.911 176.117 -0.624 0.000 1.125 118 I CA 2.622 63.585 61.300 -0.561 0.000 1.392 118 I CB 0.363 37.862 38.000 -0.834 0.000 1.065 118 I HN -0.647 7.148 8.210 -0.654 0.022 0.424 119 F N -3.997 115.688 119.950 -0.442 0.000 2.791 119 F HA 0.319 nan 4.527 nan 0.000 0.308 119 F C -1.874 173.575 175.800 -0.585 0.000 1.138 119 F CA -2.331 55.066 58.000 -1.006 0.000 1.294 119 F CB 0.789 39.480 39.000 -0.515 0.000 0.975 119 F HN -0.589 7.355 8.300 -0.355 0.142 0.512 120 E N 0.874 121.036 120.200 -0.063 0.000 2.133 120 E HA 0.355 nan 4.350 nan 0.000 0.274 120 E C -0.545 176.302 176.600 0.410 0.000 0.930 120 E CA -1.708 54.856 56.400 0.273 0.000 0.770 120 E CB 1.324 31.183 29.700 0.265 0.000 1.104 120 E HN -0.239 7.867 8.360 -0.138 0.172 0.403 121 I N 8.205 129.070 120.570 0.491 0.000 2.361 121 I HA -0.371 nan 4.170 nan 0.000 0.251 121 I C 0.396 176.755 176.117 0.405 0.000 1.133 121 I CA 1.797 63.396 61.300 0.497 0.000 1.413 121 I CB 0.416 38.594 38.000 0.296 0.000 1.073 121 I HN 0.239 8.715 8.210 0.443 0.000 0.424 122 S N 0.485 116.380 115.700 0.324 0.000 2.387 122 S HA -0.355 nan 4.470 nan 0.000 0.226 122 S C 1.920 176.685 174.600 0.275 0.000 1.026 122 S CA 3.282 61.635 58.200 0.256 0.000 0.972 122 S CB -0.395 62.933 63.200 0.214 0.000 0.814 122 S HN 0.007 8.484 8.310 0.322 0.026 0.477 123 Y N 3.342 123.774 120.300 0.219 0.000 2.163 123 Y HA -0.351 nan 4.550 nan 0.000 0.288 123 Y C 1.061 177.103 175.900 0.237 0.000 1.136 123 Y CA 2.951 61.163 58.100 0.186 0.000 1.147 123 Y CB 0.251 38.751 38.460 0.066 0.000 0.987 123 Y HN -0.954 7.598 8.280 0.453 0.000 0.509 124 F N -0.369 119.741 119.950 0.266 0.000 2.091 124 F HA -0.519 nan 4.527 nan 0.000 0.299 124 F C 0.641 176.502 175.800 0.103 0.000 1.103 124 F CA 3.612 61.735 58.000 0.205 0.000 1.228 124 F CB 0.164 39.357 39.000 0.322 0.000 0.984 124 F HN -0.043 8.629 8.300 0.620 0.000 0.477 125 K N -3.857 116.581 120.400 0.062 0.000 2.209 125 K HA -0.242 nan 4.320 nan 0.000 0.204 125 K C 1.184 177.679 176.600 -0.175 0.000 1.048 125 K CA 1.931 58.169 56.287 -0.082 0.000 0.940 125 K CB 0.079 32.623 32.500 0.073 0.000 0.729 125 K HN -0.346 8.075 8.250 0.285 0.000 0.451 126 K N -3.886 116.415 120.400 -0.166 0.000 2.242 126 K HA -0.043 nan 4.320 nan 0.000 0.200 126 K C 0.830 177.061 176.600 -0.615 0.000 1.050 126 K CA 1.190 57.296 56.287 -0.301 0.000 0.981 126 K CB 1.297 33.711 32.500 -0.143 0.000 0.795 126 K HN -0.504 7.511 8.250 -0.100 0.175 0.477 127 H N -0.797 118.005 119.070 -0.447 0.000 2.538 127 H HA 0.400 nan 4.556 nan 0.000 0.239 127 H C -2.072 173.092 175.328 -0.274 0.000 1.401 127 H CA -2.764 53.054 56.048 -0.383 0.000 1.499 127 H CB -0.362 29.068 29.762 -0.554 0.000 1.624 127 H HN -0.037 8.072 8.280 -0.286 0.000 0.524 128 P HA -0.152 nan 4.420 nan 0.000 0.225 128 P C 0.809 178.242 177.300 0.222 0.000 1.156 128 P CA 1.566 64.541 63.100 -0.208 0.000 0.787 128 P CB 0.684 32.095 31.700 -0.481 0.000 0.802 129 E N 0.314 120.598 120.200 0.139 0.000 2.070 129 E HA -0.254 nan 4.350 nan 0.000 0.197 129 E C -0.462 175.994 176.600 -0.240 0.000 1.004 129 E CA 5.201 61.656 56.400 0.092 0.000 0.805 129 E CB -2.686 27.097 29.700 0.139 0.000 0.744 129 E HN 0.583 8.923 8.360 0.070 0.061 0.451 130 P HA -0.235 nan 4.420 nan 0.000 0.215 130 P C 1.231 178.417 177.300 -0.189 0.000 1.157 130 P CA 2.796 65.474 63.100 -0.704 0.000 0.868 130 P CB -0.263 31.221 31.700 -0.360 0.000 0.788 131 F N -0.996 118.900 119.950 -0.090 0.000 2.095 131 F HA -0.343 nan 4.527 nan 0.000 0.298 131 F C 1.298 177.108 175.800 0.017 0.000 1.104 131 F CA 3.100 61.080 58.000 -0.033 0.000 1.232 131 F CB -0.086 38.950 39.000 0.060 0.000 0.987 131 F HN -0.826 7.624 8.300 0.250 0.000 0.475 132 F N -2.432 117.614 119.950 0.160 0.000 2.269 132 F HA -0.513 nan 4.527 nan 0.000 0.301 132 F C 1.841 177.587 175.800 -0.090 0.000 1.082 132 F CA 3.387 61.406 58.000 0.030 0.000 1.360 132 F CB -0.438 38.668 39.000 0.176 0.000 1.041 132 F HN -0.518 7.925 8.300 0.239 0.000 0.512 133 A N -0.459 122.399 122.820 0.063 0.000 1.929 133 A HA -0.212 nan 4.320 nan 0.000 0.216 133 A C 1.561 179.128 177.584 -0.027 0.000 1.176 133 A CA 2.767 54.824 52.037 0.033 0.000 0.628 133 A CB -0.711 18.354 19.000 0.109 0.000 0.816 133 A HN -0.129 7.917 8.150 0.020 0.117 0.444 134 L N -1.415 119.759 121.223 -0.081 0.000 2.109 134 L HA -0.235 nan 4.340 nan 0.000 0.207 134 L C 2.069 178.868 176.870 -0.118 0.000 1.086 134 L CA 2.322 57.122 54.840 -0.066 0.000 0.760 134 L CB -0.325 41.693 42.059 -0.067 0.000 0.910 134 L HN -0.402 7.672 8.230 -0.116 0.087 0.437 135 A N -0.533 122.138 122.820 -0.247 0.000 1.978 135 A HA -0.421 nan 4.320 nan 0.000 0.220 135 A C 1.620 179.204 177.584 -0.001 0.000 1.170 135 A CA 3.201 55.144 52.037 -0.158 0.000 0.636 135 A CB -0.998 17.990 19.000 -0.019 0.000 0.810 135 A HN 0.603 8.339 8.150 -0.335 0.213 0.448 136 K N -2.266 118.074 120.400 -0.099 0.000 2.152 136 K HA -0.302 nan 4.320 nan 0.000 0.206 136 K C 1.860 178.331 176.600 -0.216 0.000 1.048 136 K CA 2.828 58.919 56.287 -0.326 0.000 0.933 136 K CB -0.217 31.999 32.500 -0.472 0.000 0.721 136 K HN -0.556 7.526 8.250 -0.094 0.112 0.447 137 E N -2.181 117.963 120.200 -0.094 0.000 2.299 137 E HA -0.130 nan 4.350 nan 0.000 0.193 137 E C 1.005 177.644 176.600 0.064 0.000 0.998 137 E CA 1.705 58.104 56.400 -0.001 0.000 0.851 137 E CB 0.191 29.909 29.700 0.029 0.000 0.795 137 E HN -0.406 7.777 8.360 -0.088 0.124 0.492 138 L N -3.582 117.614 121.223 -0.044 0.000 2.470 138 L HA -0.020 nan 4.340 nan 0.000 0.219 138 L C 0.607 177.275 176.870 -0.337 0.000 1.071 138 L CA 0.247 55.004 54.840 -0.139 0.000 0.850 138 L CB 0.792 42.706 42.059 -0.242 0.000 1.040 138 L HN -1.007 7.019 8.230 -0.093 0.148 0.475 139 Y N 0.159 120.167 120.300 -0.487 0.000 2.805 139 Y HA -0.204 nan 4.550 nan 0.000 0.337 139 Y C -1.310 174.517 175.900 -0.121 0.000 1.252 139 Y CA 0.241 58.119 58.100 -0.370 0.000 1.515 139 Y CB -0.439 37.962 38.460 -0.098 0.000 1.305 139 Y HN -0.284 7.941 8.280 -0.090 0.000 0.600 140 P HA -0.158 nan 4.420 nan 0.000 0.270 140 P C -1.080 176.104 177.300 -0.194 0.000 1.223 140 P CA 0.138 63.203 63.100 -0.058 0.000 0.785 140 P CB 0.346 31.973 31.700 -0.121 0.000 0.923 141 G N 0.121 108.735 108.800 -0.310 0.000 3.033 141 G HA2 -0.203 nan 3.960 nan 0.000 0.208 141 G HA3 -0.203 nan 3.960 nan 0.000 0.208 141 G C -0.029 174.860 174.900 -0.019 0.000 1.006 141 G CA 0.500 45.422 45.100 -0.296 0.000 0.808 141 G HN 0.304 8.460 8.290 -0.223 0.000 0.499 142 Q N -0.567 119.128 119.800 -0.174 0.000 2.396 142 Q HA -0.079 nan 4.340 nan 0.000 0.209 142 Q C -1.005 174.594 176.000 -0.668 0.000 0.906 142 Q CA 0.821 56.326 55.803 -0.497 0.000 0.927 142 Q CB 0.866 29.070 28.738 -0.891 0.000 1.069 142 Q HN 0.188 8.368 8.270 -0.150 0.000 0.523 143 F N -1.904 118.161 119.950 0.193 0.000 2.563 143 F HA 0.184 nan 4.527 nan 0.000 0.316 143 F C -1.017 174.924 175.800 0.236 0.000 1.076 143 F CA -1.525 56.572 58.000 0.162 0.000 0.921 143 F CB 2.644 41.709 39.000 0.109 0.000 1.209 143 F HN -0.581 7.763 8.300 0.074 0.000 0.462 144 K N 2.473 123.053 120.400 0.301 0.000 2.156 144 K HA 0.354 nan 4.320 nan 0.000 0.250 144 K C -2.457 174.270 176.600 0.211 0.000 0.955 144 K CA -2.750 53.652 56.287 0.191 0.000 0.855 144 K CB 0.504 32.908 32.500 -0.160 0.000 1.101 144 K HN 0.114 8.526 8.250 0.271 0.000 0.434 145 P HA -0.034 nan 4.420 nan 0.000 0.271 145 P C -1.424 176.068 177.300 0.319 0.000 1.233 145 P CA 0.015 63.078 63.100 -0.062 0.000 0.789 145 P CB 0.627 32.096 31.700 -0.385 0.000 0.951 146 T N -5.726 109.073 114.554 0.408 0.000 2.923 146 T HA 0.417 nan 4.350 nan 0.000 0.281 146 T C 1.664 176.620 174.700 0.427 0.000 0.995 146 T CA -2.908 59.463 62.100 0.451 0.000 0.985 146 T CB 3.074 72.167 68.868 0.376 0.000 1.114 146 T HN -0.216 8.424 8.240 0.667 0.000 0.548 147 I N 0.159 120.931 120.570 0.337 0.000 2.194 147 I HA -0.458 nan 4.170 nan 0.000 0.246 147 I C 1.089 177.365 176.117 0.266 0.000 1.093 147 I CA 4.013 65.488 61.300 0.292 0.000 1.355 147 I CB -0.071 38.035 38.000 0.176 0.000 1.046 147 I HN 0.421 8.802 8.210 0.286 0.000 0.413 148 C N -0.519 118.872 119.300 0.151 0.000 2.413 148 C HA -0.503 nan 4.460 nan 0.000 0.276 148 C C 2.227 177.244 174.990 0.045 0.000 1.248 148 C CA 4.314 63.358 59.018 0.044 0.000 1.742 148 C CB -1.790 25.893 27.740 -0.096 0.000 2.017 148 C HN -0.373 8.154 8.230 0.151 -0.207 0.481 149 H N -0.409 118.689 119.070 0.046 0.000 2.353 149 H HA -0.323 nan 4.556 nan 0.000 0.300 149 H C 2.490 177.753 175.328 -0.110 0.000 1.090 149 H CA 4.627 60.629 56.048 -0.077 0.000 1.327 149 H CB -0.186 29.434 29.762 -0.237 0.000 1.383 149 H HN -0.651 7.624 8.280 0.137 0.087 0.508 150 Y N -1.405 119.046 120.300 0.252 0.000 2.439 150 Y HA -0.350 nan 4.550 nan 0.000 0.292 150 Y C 1.758 177.735 175.900 0.128 0.000 1.130 150 Y CA 2.904 61.093 58.100 0.148 0.000 1.254 150 Y CB -0.908 37.606 38.460 0.089 0.000 1.000 150 Y HN -0.119 8.247 8.280 0.143 0.000 0.554 151 F N 1.696 121.751 119.950 0.176 0.000 2.134 151 F HA -0.466 nan 4.527 nan 0.000 0.299 151 F C 1.246 177.118 175.800 0.119 0.000 1.097 151 F CA 4.077 62.168 58.000 0.151 0.000 1.264 151 F CB 0.211 39.275 39.000 0.108 0.000 1.001 151 F HN -0.038 8.367 8.300 0.415 0.143 0.479 152 M N -1.705 118.036 119.600 0.234 0.000 2.229 152 M HA -0.452 nan 4.480 nan 0.000 0.264 152 M C 1.888 178.197 176.300 0.015 0.000 1.063 152 M CA 3.832 59.203 55.300 0.119 0.000 1.114 152 M CB -0.299 32.369 32.600 0.113 0.000 1.387 152 M HN -0.504 7.865 8.290 0.276 0.087 0.420 153 R N 0.402 120.923 120.500 0.036 0.000 2.081 153 R HA -0.225 nan 4.340 nan 0.000 0.235 153 R C 2.127 178.383 176.300 -0.074 0.000 1.131 153 R CA 2.550 58.661 56.100 0.018 0.000 0.960 153 R CB -1.094 29.282 30.300 0.127 0.000 0.856 153 R HN -0.337 7.881 8.270 0.086 0.104 0.436 154 L N -1.320 119.815 121.223 -0.146 0.000 2.046 154 L HA -0.366 nan 4.340 nan 0.000 0.208 154 L C 2.238 178.869 176.870 -0.398 0.000 1.077 154 L CA 3.137 57.768 54.840 -0.348 0.000 0.747 154 L CB -0.439 41.305 42.059 -0.524 0.000 0.896 154 L HN 0.110 8.200 8.230 -0.091 0.085 0.432 155 L N -2.360 118.687 121.223 -0.292 0.000 2.046 155 L HA -0.500 nan 4.340 nan 0.000 0.208 155 L C 1.823 178.619 176.870 -0.124 0.000 1.077 155 L CA 3.293 58.034 54.840 -0.165 0.000 0.747 155 L CB -0.767 41.269 42.059 -0.037 0.000 0.896 155 L HN -0.244 7.741 8.230 -0.274 0.081 0.432 156 K N -0.347 119.992 120.400 -0.103 0.000 2.026 156 K HA -0.379 nan 4.320 nan 0.000 0.208 156 K C 2.823 179.359 176.600 -0.106 0.000 1.048 156 K CA 3.515 59.754 56.287 -0.081 0.000 0.929 156 K CB -0.325 32.139 32.500 -0.059 0.000 0.713 156 K HN -0.089 8.010 8.250 -0.097 0.092 0.439 157 D N 0.023 120.340 120.400 -0.137 0.000 2.264 157 D HA -0.115 nan 4.640 nan 0.000 0.208 157 D C 1.698 177.894 176.300 -0.173 0.000 0.966 157 D CA 2.546 56.458 54.000 -0.147 0.000 0.864 157 D CB -0.303 40.401 40.800 -0.160 0.000 0.933 157 D HN -0.034 8.249 8.370 -0.145 0.000 0.499 158 K N -3.329 116.940 120.400 -0.218 0.000 2.404 158 K HA 0.092 nan 4.320 nan 0.000 0.194 158 K C 0.401 176.929 176.600 -0.120 0.000 1.023 158 K CA -0.177 55.983 56.287 -0.211 0.000 1.094 158 K CB 0.226 32.529 32.500 -0.328 0.000 0.841 158 K HN -0.425 7.550 8.250 -0.239 0.132 0.523 159 G N -1.524 107.217 108.800 -0.099 0.000 2.160 159 G HA2 -0.349 nan 3.960 nan 0.000 0.251 159 G HA3 -0.349 nan 3.960 nan 0.000 0.251 159 G C 0.025 174.898 174.900 -0.045 0.000 1.008 159 G CA 1.179 46.240 45.100 -0.065 0.000 0.724 159 G HN -0.281 7.738 8.290 -0.112 0.203 0.514 160 L N -4.159 117.040 121.223 -0.039 0.000 2.513 160 L HA 0.204 nan 4.340 nan 0.000 0.222 160 L C -0.586 176.281 176.870 -0.004 0.000 1.096 160 L CA -0.386 54.450 54.840 -0.007 0.000 0.857 160 L CB 0.748 42.830 42.059 0.037 0.000 1.026 160 L HN -0.028 8.132 8.230 -0.061 0.034 0.469 161 L N 0.068 121.281 121.223 -0.017 0.000 2.407 161 L HA -0.120 nan 4.340 nan 0.000 0.282 161 L C -0.425 176.431 176.870 -0.024 0.000 1.110 161 L CA 0.334 55.167 54.840 -0.011 0.000 0.863 161 L CB 0.024 42.073 42.059 -0.016 0.000 1.207 161 L HN -0.811 7.398 8.230 -0.034 0.000 0.454 162 L N 6.892 128.099 121.223 -0.026 0.000 2.102 162 L HA 0.074 nan 4.340 nan 0.000 0.202 162 L C -0.243 176.600 176.870 -0.045 0.000 1.076 162 L CA 1.458 56.274 54.840 -0.041 0.000 0.761 162 L CB 1.206 43.230 42.059 -0.058 0.000 0.921 162 L HN 0.779 8.895 8.230 -0.018 0.103 0.444 163 R N -5.616 114.864 120.500 -0.033 0.000 2.687 163 R HA 0.211 nan 4.340 nan 0.000 0.265 163 R C -2.699 173.594 176.300 -0.012 0.000 1.048 163 R CA -0.344 55.721 56.100 -0.059 0.000 0.884 163 R CB 3.538 33.778 30.300 -0.099 0.000 1.258 163 R HN -0.699 7.559 8.270 -0.019 0.000 0.469 164 C N 4.424 123.687 119.300 -0.062 0.000 2.293 164 C HA 0.782 nan 4.460 nan 0.000 0.323 164 C C -1.626 173.328 174.990 -0.060 0.000 1.240 164 C CA -2.666 56.354 59.018 0.004 0.000 1.497 164 C CB 0.638 28.387 27.740 0.015 0.000 2.171 164 C HN 0.589 8.742 8.230 -0.128 0.000 0.465 165 Y N 8.060 128.365 120.300 0.008 0.000 2.367 165 Y HA 0.314 nan 4.550 nan 0.000 0.342 165 Y C -1.581 174.428 175.900 0.183 0.000 0.979 165 Y CA -0.702 57.448 58.100 0.083 0.000 1.161 165 Y CB 0.928 39.451 38.460 0.105 0.000 1.155 165 Y HN 0.995 9.464 8.280 0.315 0.000 0.503 166 T N 5.178 119.898 114.554 0.277 0.000 2.861 166 T HA 0.520 nan 4.350 nan 0.000 0.287 166 T C -0.531 174.285 174.700 0.193 0.000 1.003 166 T CA -2.202 60.065 62.100 0.278 0.000 0.977 166 T CB 2.128 71.094 68.868 0.165 0.000 0.996 166 T HN 0.801 9.120 8.240 0.132 0.000 0.448 167 Q N 5.261 125.182 119.800 0.201 0.000 2.392 167 Q HA 0.090 nan 4.340 nan 0.000 0.203 167 Q C 0.433 176.535 176.000 0.171 0.000 0.917 167 Q CA 0.575 56.417 55.803 0.066 0.000 0.939 167 Q CB 0.911 29.651 28.738 0.004 0.000 1.063 167 Q HN 0.162 8.614 8.270 0.303 0.000 0.516 168 N N 0.964 119.764 118.700 0.167 0.000 2.483 168 N HA -0.012 nan 4.740 nan 0.000 0.269 168 N C -0.636 174.959 175.510 0.142 0.000 1.209 168 N CA 0.684 53.832 53.050 0.165 0.000 0.969 168 N CB 0.860 39.462 38.487 0.193 0.000 1.173 168 N HN -0.332 8.089 8.380 0.176 0.064 0.475 169 I N -5.245 115.406 120.570 0.135 0.000 3.326 169 I HA 0.283 nan 4.170 nan 0.000 0.336 169 I C -0.809 175.462 176.117 0.257 0.000 1.543 169 I CA -0.753 60.643 61.300 0.160 0.000 1.013 169 I CB -0.241 37.812 38.000 0.089 0.000 1.468 169 I HN -0.012 8.277 8.210 0.132 0.000 0.515 170 D N -0.658 119.865 120.400 0.206 0.000 2.349 170 D HA -0.063 nan 4.640 nan 0.000 0.214 170 D C 0.416 176.815 176.300 0.165 0.000 1.063 170 D CA -0.915 53.199 54.000 0.191 0.000 0.847 170 D CB -0.546 40.346 40.800 0.153 0.000 0.933 170 D HN -0.226 8.192 8.370 0.186 0.063 0.513 171 T N -2.444 112.212 114.554 0.170 0.000 6.885 171 T HA -0.332 nan 4.350 nan 0.000 0.286 171 T C 0.966 175.718 174.700 0.086 0.000 2.119 171 T CA 1.651 63.839 62.100 0.146 0.000 3.358 171 T CB -1.796 67.172 68.868 0.166 0.000 1.764 171 T HN 0.097 8.393 8.240 0.184 0.055 1.202 172 L N -0.834 120.409 121.223 0.033 0.000 2.201 172 L HA -0.405 nan 4.340 nan 0.000 0.212 172 L C 1.242 178.044 176.870 -0.114 0.000 1.105 172 L CA 3.462 58.213 54.840 -0.148 0.000 0.775 172 L CB -0.643 41.097 42.059 -0.530 0.000 0.913 172 L HN -0.160 8.368 8.230 0.067 -0.258 0.440 173 E N -1.203 119.050 120.200 0.087 0.000 2.077 173 E HA -0.375 nan 4.350 nan 0.000 0.193 173 E C 2.347 178.992 176.600 0.075 0.000 0.989 173 E CA 3.809 60.297 56.400 0.146 0.000 0.800 173 E CB -1.181 28.605 29.700 0.144 0.000 0.746 173 E HN 0.229 8.636 8.360 0.119 0.025 0.452 174 R N -0.955 119.591 120.500 0.075 0.000 2.092 174 R HA -0.206 nan 4.340 nan 0.000 0.231 174 R C 3.173 179.606 176.300 0.221 0.000 1.119 174 R CA 3.004 59.154 56.100 0.085 0.000 0.970 174 R CB -0.318 29.995 30.300 0.022 0.000 0.864 174 R HN -0.025 8.293 8.270 0.079 0.000 0.440 175 I N -0.510 120.182 120.570 0.204 0.000 2.394 175 I HA -0.382 nan 4.170 nan 0.000 0.251 175 I C 0.347 176.639 176.117 0.291 0.000 1.136 175 I CA 2.872 64.361 61.300 0.315 0.000 1.425 175 I CB -0.054 38.094 38.000 0.247 0.000 1.079 175 I HN -0.239 7.976 8.210 0.125 0.070 0.425 176 A N -4.548 118.329 122.820 0.095 0.000 2.206 176 A HA -0.042 nan 4.320 nan 0.000 0.211 176 A C -0.130 177.527 177.584 0.121 0.000 1.158 176 A CA 0.688 52.722 52.037 -0.005 0.000 0.761 176 A CB 0.503 19.290 19.000 -0.356 0.000 0.801 176 A HN -0.193 7.873 8.150 0.039 0.108 0.473 177 G N -4.237 104.624 108.800 0.101 0.000 2.192 177 G HA2 -0.268 nan 3.960 nan 0.000 0.193 177 G HA3 -0.268 nan 3.960 nan 0.000 0.193 177 G C -0.481 174.402 174.900 -0.028 0.000 0.999 177 G CA -0.438 44.674 45.100 0.021 0.000 0.659 177 G HN -0.468 7.701 8.290 0.127 0.197 0.503 178 L N 1.316 122.536 121.223 -0.005 0.000 2.397 178 L HA -0.128 nan 4.340 nan 0.000 0.271 178 L C -0.815 176.023 176.870 -0.052 0.000 1.148 178 L CA 0.869 55.696 54.840 -0.022 0.000 0.825 178 L CB 0.182 42.243 42.059 0.004 0.000 1.117 178 L HN -0.344 7.898 8.230 0.022 0.000 0.456 179 E N 1.034 121.195 120.200 -0.065 0.000 2.280 179 E HA 0.110 nan 4.350 nan 0.000 0.261 179 E C 0.624 177.193 176.600 -0.052 0.000 1.088 179 E CA -1.490 54.862 56.400 -0.079 0.000 0.915 179 E CB 1.245 30.897 29.700 -0.080 0.000 1.141 179 E HN 0.198 8.909 8.360 -0.057 -0.385 0.433 180 Q N 1.481 121.255 119.800 -0.042 0.000 2.112 180 Q HA -0.336 nan 4.340 nan 0.000 0.206 180 Q C 2.008 178.000 176.000 -0.014 0.000 0.987 180 Q CA 3.629 59.426 55.803 -0.010 0.000 0.858 180 Q CB -0.094 28.656 28.738 0.020 0.000 0.905 180 Q HN 0.545 8.782 8.270 -0.054 0.000 0.420 181 E N -1.885 118.302 120.200 -0.021 0.000 2.265 181 E HA -0.267 nan 4.350 nan 0.000 0.196 181 E C 1.600 178.175 176.600 -0.042 0.000 0.996 181 E CA 2.794 59.179 56.400 -0.025 0.000 0.832 181 E CB -1.095 28.590 29.700 -0.025 0.000 0.756 181 E HN 0.497 8.814 8.360 -0.026 0.028 0.491 182 D N -1.953 118.419 120.400 -0.048 0.000 2.348 182 D HA 0.046 nan 4.640 nan 0.000 0.211 182 D C -0.822 175.428 176.300 -0.083 0.000 0.998 182 D CA 1.324 55.289 54.000 -0.058 0.000 0.873 182 D CB 0.812 41.585 40.800 -0.045 0.000 0.925 182 D HN -0.183 8.004 8.370 -0.043 0.158 0.524 183 L N -2.458 118.717 121.223 -0.080 0.000 2.342 183 L HA 0.572 nan 4.340 nan 0.000 0.271 183 L C -0.611 176.167 176.870 -0.154 0.000 1.008 183 L CA -0.995 53.782 54.840 -0.105 0.000 0.818 183 L CB 2.878 44.914 42.059 -0.037 0.000 1.296 183 L HN -0.591 7.424 8.230 -0.057 0.180 0.427 184 V N 4.038 123.787 119.914 -0.274 0.000 2.357 184 V HA 0.227 nan 4.120 nan 0.000 0.281 184 V C -1.533 174.438 176.094 -0.206 0.000 1.015 184 V CA -0.828 61.292 62.300 -0.300 0.000 0.827 184 V CB 1.532 32.932 31.823 -0.705 0.000 1.018 184 V HN 0.763 8.782 8.190 -0.284 0.000 0.432 185 E N 7.522 127.674 120.200 -0.080 0.000 2.014 185 E HA 0.257 nan 4.350 nan 0.000 0.275 185 E C 0.446 176.926 176.600 -0.200 0.000 0.997 185 E CA -0.989 55.379 56.400 -0.054 0.000 0.804 185 E CB -0.147 29.582 29.700 0.048 0.000 1.090 185 E HN 0.484 8.866 8.360 0.037 0.000 0.401 186 A N 6.862 129.441 122.820 -0.402 0.000 1.986 186 A HA -0.230 nan 4.320 nan 0.000 0.220 186 A C 0.464 177.738 177.584 -0.516 0.000 1.171 186 A CA 2.898 54.498 52.037 -0.728 0.000 0.640 186 A CB -0.119 18.465 19.000 -0.695 0.000 0.811 186 A HN 0.617 8.609 8.150 -0.262 0.000 0.451 187 H N -4.925 114.079 119.070 -0.109 0.000 2.542 187 H HA 0.211 nan 4.556 nan 0.000 0.283 187 H C -0.555 174.718 175.328 -0.092 0.000 1.059 187 H CA -0.802 55.176 56.048 -0.117 0.000 1.162 187 H CB 0.383 30.017 29.762 -0.214 0.000 1.539 187 H HN 0.038 8.194 8.280 -0.170 0.022 0.543 188 G N -0.510 108.347 108.800 0.095 0.000 2.615 188 G HA2 -0.385 nan 3.960 nan 0.000 0.218 188 G HA3 -0.385 nan 3.960 nan 0.000 0.218 188 G C -1.906 172.981 174.900 -0.021 0.000 1.339 188 G CA -0.205 44.921 45.100 0.043 0.000 0.884 188 G HN -0.133 8.022 8.290 0.113 0.203 0.559 189 T N -1.325 113.186 114.554 -0.071 0.000 2.894 189 T HA 0.441 nan 4.350 nan 0.000 0.309 189 T C -1.203 173.417 174.700 -0.134 0.000 1.208 189 T CA -1.398 60.679 62.100 -0.039 0.000 1.016 189 T CB 2.698 71.636 68.868 0.116 0.000 1.192 189 T HN -0.130 7.956 8.240 -0.078 0.108 0.491 190 F N 2.612 122.575 119.950 0.022 0.000 2.789 190 F HA 0.048 nan 4.527 nan 0.000 0.300 190 F C 0.441 176.281 175.800 0.067 0.000 1.132 190 F CA 1.241 59.181 58.000 -0.100 0.000 1.404 190 F CB 0.631 39.340 39.000 -0.485 0.000 1.114 190 F HN 0.645 9.070 8.300 0.209 0.000 0.584 191 Y N -0.989 119.425 120.300 0.189 0.000 2.242 191 Y HA -0.310 nan 4.550 nan 0.000 0.291 191 Y C -1.497 174.518 175.900 0.192 0.000 1.137 191 Y CA 2.937 61.152 58.100 0.192 0.000 1.181 191 Y CB 1.235 39.796 38.460 0.169 0.000 0.989 191 Y HN -0.530 7.919 8.280 0.377 0.057 0.527 192 T N -7.568 107.123 114.554 0.229 0.000 2.932 192 T HA 0.389 nan 4.350 nan 0.000 0.289 192 T C -1.399 173.381 174.700 0.134 0.000 1.039 192 T CA -2.492 59.693 62.100 0.143 0.000 1.024 192 T CB 3.217 72.219 68.868 0.224 0.000 1.090 192 T HN -0.806 7.602 8.240 0.280 0.000 0.496 193 S N 0.309 116.018 115.700 0.015 0.000 2.550 193 S HA 0.798 nan 4.470 nan 0.000 0.270 193 S C -1.967 172.528 174.600 -0.175 0.000 1.145 193 S CA -0.389 57.862 58.200 0.085 0.000 0.852 193 S CB 4.115 67.457 63.200 0.237 0.000 1.119 193 S HN -0.016 8.206 8.310 -0.147 0.000 0.465 194 H N 0.076 119.223 119.070 0.129 0.000 3.012 194 H HA 0.463 nan 4.556 nan 0.000 0.367 194 H C -1.332 174.077 175.328 0.134 0.000 1.211 194 H CA -0.256 55.868 56.048 0.128 0.000 1.139 194 H CB 4.387 34.188 29.762 0.063 0.000 1.838 194 H HN 0.346 8.769 8.280 0.238 0.000 0.550 195 C N 2.800 122.273 119.300 0.288 0.000 2.657 195 C HA -0.097 nan 4.460 nan 0.000 0.420 195 C C 0.594 175.691 174.990 0.178 0.000 1.323 195 C CA 1.700 60.849 59.018 0.218 0.000 1.894 195 C CB 0.034 27.911 27.740 0.229 0.000 2.681 195 C HN 0.428 8.749 8.230 0.334 0.108 0.613 196 V N 5.585 125.593 119.914 0.157 0.000 3.306 196 V HA 0.005 nan 4.120 nan 0.000 0.264 196 V C -0.121 176.026 176.094 0.089 0.000 1.149 196 V CA 1.309 63.679 62.300 0.117 0.000 1.143 196 V CB -0.513 31.410 31.823 0.167 0.000 0.767 196 V HN 0.325 8.618 8.190 0.173 0.000 0.476 197 S N 0.472 116.228 115.700 0.093 0.000 2.499 197 S HA 0.063 nan 4.470 nan 0.000 0.275 197 S C 0.760 175.392 174.600 0.053 0.000 1.257 197 S CA -0.470 57.771 58.200 0.070 0.000 1.050 197 S CB 1.237 64.479 63.200 0.070 0.000 0.937 197 S HN -0.795 7.539 8.310 0.111 0.042 0.490 198 A N 7.955 130.796 122.820 0.035 0.000 1.948 198 A HA -0.325 nan 4.320 nan 0.000 0.220 198 A C 1.022 178.616 177.584 0.017 0.000 1.177 198 A CA 2.887 54.934 52.037 0.017 0.000 0.636 198 A CB -0.862 18.145 19.000 0.010 0.000 0.815 198 A HN 0.776 8.947 8.150 0.035 0.000 0.449 199 S N -4.883 110.831 115.700 0.024 0.000 2.515 199 S HA -0.055 nan 4.470 nan 0.000 0.231 199 S C 0.023 174.639 174.600 0.026 0.000 0.987 199 S CA 1.413 59.625 58.200 0.020 0.000 0.936 199 S CB -0.151 63.062 63.200 0.020 0.000 0.766 199 S HN -0.063 8.243 8.310 0.028 0.021 0.528 200 C N 0.508 119.834 119.300 0.044 0.000 2.374 200 C HA 0.268 nan 4.460 nan 0.000 0.412 200 C C -1.096 173.946 174.990 0.086 0.000 1.421 200 C CA -0.439 58.617 59.018 0.063 0.000 2.484 200 C CB 1.300 29.095 27.740 0.092 0.000 2.598 200 C HN -0.180 7.889 8.230 0.049 0.190 0.584 201 R N 0.927 121.492 120.500 0.108 0.000 3.358 201 R HA -0.473 nan 4.340 nan 0.000 0.248 201 R C -1.259 175.192 176.300 0.251 0.000 0.981 201 R CA 1.142 57.328 56.100 0.144 0.000 0.662 201 R CB -3.565 26.764 30.300 0.048 0.000 1.037 201 R HN 0.116 8.441 8.270 0.092 0.000 0.460 202 H N -0.357 118.784 119.070 0.118 0.000 2.928 202 H HA -0.119 nan 4.556 nan 0.000 0.338 202 H C -0.837 174.500 175.328 0.015 0.000 1.047 202 H CA -0.416 55.656 56.048 0.040 0.000 1.435 202 H CB 1.536 31.316 29.762 0.029 0.000 1.428 202 H HN -0.646 7.776 8.280 0.290 0.031 0.590 203 E N 5.526 125.841 120.200 0.191 0.000 2.266 203 E HA 0.318 nan 4.350 nan 0.000 0.277 203 E C -1.426 174.794 176.600 -0.634 0.000 1.018 203 E CA -1.233 54.976 56.400 -0.319 0.000 0.840 203 E CB 1.613 31.142 29.700 -0.284 0.000 1.082 203 E HN 0.156 8.722 8.360 0.343 0.000 0.395 204 Y N 3.732 123.766 120.300 -0.443 0.000 2.462 204 Y HA 0.351 nan 4.550 nan 0.000 0.346 204 Y C -2.223 173.568 175.900 -0.181 0.000 0.976 204 Y CA -2.679 55.172 58.100 -0.416 0.000 1.044 204 Y CB 2.881 40.957 38.460 -0.640 0.000 1.230 204 Y HN 0.397 8.379 8.280 -0.321 0.106 0.455 205 P HA 0.186 nan 4.420 nan 0.000 0.274 205 P C 0.093 177.456 177.300 0.105 0.000 1.237 205 P CA -0.507 62.607 63.100 0.025 0.000 0.793 205 P CB 1.719 33.432 31.700 0.023 0.000 0.977 206 L N 1.517 122.705 121.223 -0.059 0.000 2.079 206 L HA -0.354 nan 4.340 nan 0.000 0.210 206 L C 1.299 178.185 176.870 0.026 0.000 1.081 206 L CA 3.235 58.058 54.840 -0.028 0.000 0.752 206 L CB -0.801 41.090 42.059 -0.280 0.000 0.896 206 L HN 0.632 8.737 8.230 -0.209 0.000 0.433 207 S N -1.240 114.471 115.700 0.018 0.000 2.368 207 S HA -0.391 nan 4.470 nan 0.000 0.225 207 S C 2.008 176.652 174.600 0.073 0.000 1.030 207 S CA 2.820 61.032 58.200 0.020 0.000 0.999 207 S CB -0.922 62.300 63.200 0.038 0.000 0.844 207 S HN -0.317 7.974 8.310 0.001 0.020 0.459 208 W N 3.116 124.400 121.300 -0.025 0.000 2.381 208 W HA -0.234 nan 4.660 nan 0.000 0.301 208 W C 1.286 177.774 176.519 -0.052 0.000 1.205 208 W CA 3.698 61.037 57.345 -0.011 0.000 1.285 208 W CB 0.250 29.758 29.460 0.079 0.000 1.133 208 W HN -0.853 7.432 8.180 0.325 0.090 0.521 209 M N -1.524 118.202 119.600 0.210 0.000 2.123 209 M HA -0.370 nan 4.480 nan 0.000 0.263 209 M C 2.257 178.422 176.300 -0.225 0.000 1.069 209 M CA 2.118 57.432 55.300 0.024 0.000 1.133 209 M CB -1.023 31.763 32.600 0.310 0.000 1.356 209 M HN -0.445 8.067 8.290 0.369 0.000 0.415 210 K N -0.762 119.505 120.400 -0.221 0.000 2.152 210 K HA -0.338 nan 4.320 nan 0.000 0.206 210 K C 2.379 178.836 176.600 -0.239 0.000 1.048 210 K CA 3.172 59.256 56.287 -0.338 0.000 0.933 210 K CB -0.465 31.861 32.500 -0.290 0.000 0.721 210 K HN 0.368 8.450 8.250 -0.095 0.111 0.447 211 E N -0.504 119.553 120.200 -0.239 0.000 2.016 211 E HA -0.252 nan 4.350 nan 0.000 0.190 211 E C 2.227 178.689 176.600 -0.231 0.000 0.985 211 E CA 2.949 59.218 56.400 -0.218 0.000 0.802 211 E CB -0.247 29.315 29.700 -0.230 0.000 0.762 211 E HN -0.653 7.568 8.360 -0.222 0.005 0.448 212 K N -1.474 118.698 120.400 -0.379 0.000 2.044 212 K HA -0.278 nan 4.320 nan 0.000 0.210 212 K C 2.908 179.337 176.600 -0.285 0.000 1.049 212 K CA 2.440 58.486 56.287 -0.401 0.000 0.927 212 K CB -0.485 31.642 32.500 -0.622 0.000 0.713 212 K HN -0.817 7.139 8.250 -0.489 0.000 0.443 213 I N -0.761 119.648 120.570 -0.269 0.000 2.163 213 I HA -0.440 nan 4.170 nan 0.000 0.243 213 I C 2.719 178.757 176.117 -0.131 0.000 1.085 213 I CA 3.705 64.887 61.300 -0.197 0.000 1.347 213 I CB -0.031 37.838 38.000 -0.218 0.000 1.044 213 I HN -0.160 7.863 8.210 -0.311 0.000 0.408 214 F N -3.073 116.740 119.950 -0.227 0.000 2.502 214 F HA -0.192 nan 4.527 nan 0.000 0.298 214 F C 0.745 176.467 175.800 -0.131 0.000 1.111 214 F CA 1.971 59.876 58.000 -0.158 0.000 1.445 214 F CB -0.418 38.488 39.000 -0.156 0.000 1.081 214 F HN -0.434 8.006 8.300 0.233 0.000 0.558 215 S N -3.108 112.586 115.700 -0.009 0.000 2.575 215 S HA -0.081 nan 4.470 nan 0.000 0.215 215 S C -0.468 174.080 174.600 -0.087 0.000 0.966 215 S CA -0.536 57.630 58.200 -0.057 0.000 0.911 215 S CB 0.550 63.691 63.200 -0.098 0.000 0.780 215 S HN -0.581 7.493 8.310 -0.054 0.204 0.514 216 E N -3.090 117.047 120.200 -0.105 0.000 2.440 216 E HA -0.491 nan 4.350 nan 0.000 0.246 216 E C -1.238 175.294 176.600 -0.115 0.000 1.165 216 E CA 1.045 57.388 56.400 -0.096 0.000 0.726 216 E CB -1.809 27.859 29.700 -0.052 0.000 1.271 216 E HN -0.463 7.627 8.360 -0.111 0.204 0.397 217 V N -0.858 118.946 119.914 -0.184 0.000 2.370 217 V HA 0.166 nan 4.120 nan 0.000 0.283 217 V C -0.167 175.735 176.094 -0.321 0.000 1.023 217 V CA -0.987 61.185 62.300 -0.213 0.000 0.857 217 V CB 0.740 32.425 31.823 -0.229 0.000 0.985 217 V HN -0.037 7.890 8.190 -0.210 0.137 0.443 218 T N 9.263 123.656 114.554 -0.268 0.000 2.761 218 T HA 0.211 nan 4.350 nan 0.000 0.287 218 T C -1.594 172.905 174.700 -0.336 0.000 0.931 218 T CA -1.309 60.578 62.100 -0.354 0.000 1.164 218 T CB -0.722 68.061 68.868 -0.142 0.000 0.876 218 T HN 0.178 8.314 8.240 -0.172 0.000 0.534 219 P HA -0.041 nan 4.420 nan 0.000 0.264 219 P C -1.315 175.991 177.300 0.011 0.000 1.193 219 P CA -0.103 62.835 63.100 -0.270 0.000 0.763 219 P CB 0.609 32.188 31.700 -0.201 0.000 0.810 220 K N 2.978 123.431 120.400 0.089 0.000 2.375 220 K HA 0.458 nan 4.320 nan 0.000 0.249 220 K C -1.075 175.558 176.600 0.056 0.000 0.942 220 K CA -2.103 54.233 56.287 0.082 0.000 0.806 220 K CB 2.951 35.475 32.500 0.041 0.000 1.227 220 K HN -0.034 8.276 8.250 0.101 0.000 0.430 221 C N 4.836 124.146 119.300 0.017 0.000 2.648 221 C HA -0.090 nan 4.460 nan 0.000 0.415 221 C C 1.575 176.604 174.990 0.066 0.000 1.366 221 C CA -0.122 58.891 59.018 -0.008 0.000 1.756 221 C CB 0.360 28.165 27.740 0.109 0.000 2.549 221 C HN 0.765 8.920 8.230 0.055 0.108 0.597 222 E N 8.489 128.748 120.200 0.097 0.000 2.338 222 E HA -0.306 nan 4.350 nan 0.000 0.197 222 E C 0.056 176.751 176.600 0.157 0.000 1.007 222 E CA 2.328 58.818 56.400 0.149 0.000 0.849 222 E CB 0.075 29.889 29.700 0.190 0.000 0.774 222 E HN 0.420 8.834 8.360 0.090 0.000 0.506 223 D N -1.764 118.758 120.400 0.203 0.000 2.323 223 D HA 0.030 nan 4.640 nan 0.000 0.218 223 D C 0.394 176.760 176.300 0.110 0.000 0.973 223 D CA 1.335 55.430 54.000 0.157 0.000 0.890 223 D CB 0.927 41.836 40.800 0.182 0.000 1.011 223 D HN -0.123 8.324 8.370 0.235 0.064 0.499 224 C N -4.594 114.776 119.300 0.116 0.000 3.491 224 C HA 0.493 nan 4.460 nan 0.000 0.298 224 C C 0.116 175.149 174.990 0.071 0.000 1.424 224 C CA -1.170 57.898 59.018 0.084 0.000 1.772 224 C CB 1.996 29.787 27.740 0.085 0.000 2.447 224 C HN -0.694 7.620 8.230 0.141 0.000 0.670 225 Q N -2.759 117.086 119.800 0.074 0.000 2.324 225 Q HA -0.504 nan 4.340 nan 0.000 0.200 225 Q C -0.882 175.151 176.000 0.055 0.000 0.645 225 Q CA 1.323 57.160 55.803 0.057 0.000 1.377 225 Q CB -2.486 26.276 28.738 0.041 0.000 1.486 225 Q HN 0.367 8.611 8.270 0.089 0.080 0.796 226 S N -1.093 114.649 115.700 0.070 0.000 2.608 226 S HA -0.092 nan 4.470 nan 0.000 0.261 226 S C -0.071 174.586 174.600 0.095 0.000 1.314 226 S CA 1.029 59.275 58.200 0.076 0.000 0.992 226 S CB 0.756 64.010 63.200 0.090 0.000 0.935 226 S HN -0.762 7.520 8.310 0.080 0.076 0.564 227 L N 0.033 121.325 121.223 0.116 0.000 2.483 227 L HA -0.016 nan 4.340 nan 0.000 0.275 227 L C -1.148 175.878 176.870 0.259 0.000 1.220 227 L CA 1.223 56.175 54.840 0.186 0.000 0.833 227 L CB 0.299 42.474 42.059 0.192 0.000 1.102 227 L HN 0.045 8.332 8.230 0.095 0.000 0.490 228 V N 1.304 121.412 119.914 0.325 0.000 2.540 228 V HA 0.441 nan 4.120 nan 0.000 0.302 228 V C -1.463 174.939 176.094 0.513 0.000 1.035 228 V CA -1.193 61.296 62.300 0.314 0.000 0.873 228 V CB 1.112 33.044 31.823 0.183 0.000 0.992 228 V HN -0.183 8.213 8.190 0.344 0.000 0.428 229 K N 4.912 125.526 120.400 0.356 0.000 2.435 229 K HA 0.692 nan 4.320 nan 0.000 0.251 229 K C -2.820 173.887 176.600 0.178 0.000 0.954 229 K CA -3.526 52.929 56.287 0.279 0.000 0.820 229 K CB 1.922 34.189 32.500 -0.388 0.000 1.292 229 K HN 0.327 8.723 8.250 0.243 0.000 0.436 230 P HA -0.062 nan 4.420 nan 0.000 0.271 230 P C -0.379 176.881 177.300 -0.067 0.000 1.233 230 P CA -0.204 63.017 63.100 0.202 0.000 0.789 230 P CB 0.439 32.344 31.700 0.341 0.000 0.951 231 D N 1.341 121.725 120.400 -0.027 0.000 2.977 231 D HA 0.070 nan 4.640 nan 0.000 0.241 231 D C -0.531 175.652 176.300 -0.196 0.000 1.206 231 D CA 0.191 54.139 54.000 -0.086 0.000 0.902 231 D CB -1.637 39.193 40.800 0.050 0.000 1.131 231 D HN 0.153 8.557 8.370 0.057 0.000 0.447 232 I N 0.938 121.308 120.570 -0.334 0.000 2.395 232 I HA -0.004 nan 4.170 nan 0.000 0.289 232 I C -0.859 175.127 176.117 -0.218 0.000 1.023 232 I CA -1.084 60.034 61.300 -0.305 0.000 1.350 232 I CB 0.571 38.392 38.000 -0.298 0.000 1.409 232 I HN -0.146 7.733 8.210 -0.401 0.090 0.507 233 V N 8.697 128.552 119.914 -0.098 0.000 2.415 233 V HA -0.072 nan 4.120 nan 0.000 0.267 233 V C -0.529 175.579 176.094 0.023 0.000 1.042 233 V CA 0.510 62.774 62.300 -0.060 0.000 1.000 233 V CB -1.776 30.051 31.823 0.006 0.000 1.015 233 V HN -0.038 7.977 8.190 -0.071 0.133 0.478 234 F N 6.339 126.132 119.950 -0.261 0.000 2.378 234 F HA 0.325 nan 4.527 nan 0.000 0.325 234 F C 0.602 176.309 175.800 -0.155 0.000 1.097 234 F CA -3.623 54.245 58.000 -0.221 0.000 1.079 234 F CB 1.899 40.804 39.000 -0.158 0.000 1.240 234 F HN 0.160 8.817 8.300 0.005 -0.353 0.519 235 F N 1.102 121.157 119.950 0.175 0.000 2.563 235 F HA -0.237 nan 4.527 nan 0.000 0.363 235 F C 1.082 176.968 175.800 0.144 0.000 1.123 235 F CA 2.423 60.498 58.000 0.126 0.000 1.307 235 F CB -0.144 38.917 39.000 0.102 0.000 1.115 235 F HN 0.557 8.925 8.300 0.112 0.000 0.592 236 G N 1.619 110.585 108.800 0.277 0.000 2.241 236 G HA2 -0.305 nan 3.960 nan 0.000 0.244 236 G HA3 -0.305 nan 3.960 nan 0.000 0.244 236 G C -0.881 174.092 174.900 0.121 0.000 0.998 236 G CA -0.148 45.068 45.100 0.192 0.000 0.621 236 G HN 0.336 8.789 8.290 0.272 0.000 0.519 237 E N 0.881 121.139 120.200 0.096 0.000 2.250 237 E HA 0.204 nan 4.350 nan 0.000 0.269 237 E C -1.176 175.419 176.600 -0.008 0.000 1.018 237 E CA -1.311 55.102 56.400 0.021 0.000 0.873 237 E CB 1.453 31.135 29.700 -0.031 0.000 1.134 237 E HN -0.377 7.968 8.360 0.126 0.090 0.403 238 S N 1.017 116.690 115.700 -0.046 0.000 2.513 238 S HA 0.045 nan 4.470 nan 0.000 0.276 238 S C -0.235 174.288 174.600 -0.128 0.000 1.254 238 S CA -0.081 58.078 58.200 -0.067 0.000 1.053 238 S CB 0.622 63.779 63.200 -0.071 0.000 0.958 238 S HN -0.037 8.240 8.310 -0.054 0.000 0.491 239 L N 3.716 124.854 121.223 -0.141 0.000 2.483 239 L HA 0.136 nan 4.340 nan 0.000 0.276 239 L C -0.634 175.969 176.870 -0.445 0.000 1.213 239 L CA -1.046 53.617 54.840 -0.295 0.000 0.843 239 L CB -0.658 41.289 42.059 -0.186 0.000 1.107 239 L HN 0.177 8.351 8.230 -0.093 0.000 0.487 240 P HA -0.051 nan 4.420 nan 0.000 0.266 240 P C -0.012 177.029 177.300 -0.432 0.000 1.195 240 P CA -0.171 62.606 63.100 -0.538 0.000 0.768 240 P CB 0.626 31.973 31.700 -0.589 0.000 0.838 241 A N 4.735 127.438 122.820 -0.196 0.000 2.024 241 A HA -0.300 nan 4.320 nan 0.000 0.220 241 A C 2.326 179.936 177.584 0.043 0.000 1.164 241 A CA 2.616 54.621 52.037 -0.052 0.000 0.643 241 A CB -0.208 18.780 19.000 -0.021 0.000 0.806 241 A HN 0.451 8.495 8.150 -0.177 0.000 0.451 242 R N -1.162 119.332 120.500 -0.009 0.000 2.117 242 R HA -0.309 nan 4.340 nan 0.000 0.243 242 R C 2.205 178.666 176.300 0.268 0.000 1.143 242 R CA 3.048 59.206 56.100 0.096 0.000 0.968 242 R CB -0.307 30.033 30.300 0.068 0.000 0.863 242 R HN 0.196 8.367 8.270 -0.096 0.042 0.444 243 F N -1.290 118.721 119.950 0.103 0.000 2.043 243 F HA -0.343 nan 4.527 nan 0.000 0.297 243 F C 2.396 178.325 175.800 0.214 0.000 1.121 243 F CA 1.711 59.800 58.000 0.148 0.000 1.199 243 F CB -1.333 37.748 39.000 0.135 0.000 0.968 243 F HN -0.570 7.754 8.300 0.068 0.017 0.478 244 F N -0.260 119.868 119.950 0.297 0.000 2.102 244 F HA -0.475 nan 4.527 nan 0.000 0.298 244 F C 1.487 177.386 175.800 0.166 0.000 1.105 244 F CA 3.657 61.771 58.000 0.190 0.000 1.239 244 F CB 0.014 39.084 39.000 0.118 0.000 0.991 244 F HN -0.516 8.108 8.300 0.541 0.000 0.474 245 S N -0.040 115.751 115.700 0.152 0.000 2.368 245 S HA -0.356 nan 4.470 nan 0.000 0.225 245 S C 2.233 176.844 174.600 0.018 0.000 1.030 245 S CA 4.511 62.727 58.200 0.028 0.000 0.999 245 S CB -0.394 62.873 63.200 0.111 0.000 0.844 245 S HN -0.441 8.054 8.310 0.307 0.000 0.459 246 C N 2.072 121.441 119.300 0.115 0.000 2.446 246 C HA -0.234 nan 4.460 nan 0.000 0.277 246 C C 1.693 176.833 174.990 0.251 0.000 1.275 246 C CA 4.092 63.204 59.018 0.157 0.000 1.727 246 C CB -1.620 26.218 27.740 0.163 0.000 2.010 246 C HN 0.171 8.501 8.230 0.166 0.000 0.486 247 M N 0.121 119.880 119.600 0.265 0.000 2.159 247 M HA -0.476 nan 4.480 nan 0.000 0.263 247 M C 2.006 178.380 176.300 0.122 0.000 1.063 247 M CA 3.984 59.448 55.300 0.273 0.000 1.110 247 M CB -0.139 32.524 32.600 0.105 0.000 1.374 247 M HN 0.304 8.523 8.290 0.189 0.185 0.411 248 Q N -2.668 117.050 119.800 -0.138 0.000 2.172 248 Q HA -0.206 nan 4.340 nan 0.000 0.200 248 Q C 1.903 177.882 176.000 -0.035 0.000 0.964 248 Q CA 2.487 58.177 55.803 -0.188 0.000 0.855 248 Q CB -0.229 28.249 28.738 -0.434 0.000 0.918 248 Q HN -0.186 7.840 8.270 -0.201 0.124 0.444 249 S N -0.682 115.019 115.700 0.002 0.000 2.398 249 S HA -0.044 nan 4.470 nan 0.000 0.220 249 S C 2.078 176.689 174.600 0.017 0.000 1.046 249 S CA 2.413 60.621 58.200 0.013 0.000 0.953 249 S CB 0.636 63.840 63.200 0.007 0.000 0.856 249 S HN -0.482 7.734 8.310 0.006 0.097 0.506 250 D N 3.451 123.865 120.400 0.023 0.000 2.123 250 D HA -0.263 nan 4.640 nan 0.000 0.196 250 D C 1.819 177.938 176.300 -0.301 0.000 0.992 250 D CA 3.438 57.363 54.000 -0.124 0.000 0.833 250 D CB -0.555 40.158 40.800 -0.145 0.000 0.954 250 D HN 0.375 8.688 8.370 0.081 0.106 0.455 251 F N -3.289 116.650 119.950 -0.017 0.000 2.802 251 F HA -0.079 nan 4.527 nan 0.000 0.300 251 F C 1.026 176.810 175.800 -0.026 0.000 1.168 251 F CA 1.651 59.627 58.000 -0.041 0.000 1.433 251 F CB -0.118 38.834 39.000 -0.080 0.000 1.115 251 F HN -0.908 7.532 8.300 0.235 0.000 0.582 252 L N -3.556 117.699 121.223 0.055 0.000 2.463 252 L HA 0.017 nan 4.340 nan 0.000 0.219 252 L C 0.575 177.447 176.870 0.004 0.000 1.088 252 L CA 1.021 55.883 54.840 0.037 0.000 0.849 252 L CB 0.348 42.423 42.059 0.027 0.000 1.012 252 L HN -0.607 7.581 8.230 0.032 0.062 0.468 253 K N -4.640 115.740 120.400 -0.033 0.000 2.354 253 K HA 0.067 nan 4.320 nan 0.000 0.194 253 K C -0.136 176.432 176.600 -0.054 0.000 1.038 253 K CA -0.437 55.827 56.287 -0.038 0.000 1.052 253 K CB 1.129 33.603 32.500 -0.043 0.000 0.861 253 K HN -0.795 7.272 8.250 -0.053 0.151 0.535 254 V N 1.158 121.012 119.914 -0.101 0.000 2.673 254 V HA -0.240 nan 4.120 nan 0.000 0.303 254 V C -0.424 175.663 176.094 -0.011 0.000 1.046 254 V CA 1.363 63.604 62.300 -0.099 0.000 1.126 254 V CB 0.197 31.890 31.823 -0.217 0.000 0.934 254 V HN -0.570 7.538 8.190 -0.137 0.000 0.487 255 D N 7.004 127.420 120.400 0.028 0.000 2.392 255 D HA 0.198 nan 4.640 nan 0.000 0.206 255 D C -0.937 175.487 176.300 0.207 0.000 1.046 255 D CA 1.408 55.479 54.000 0.119 0.000 0.865 255 D CB 2.192 43.051 40.800 0.099 0.000 0.969 255 D HN 0.617 8.883 8.370 0.006 0.107 0.509 256 L N -1.526 119.773 121.223 0.127 0.000 2.513 256 L HA 0.460 nan 4.340 nan 0.000 0.261 256 L C -3.075 173.823 176.870 0.047 0.000 0.945 256 L CA 0.361 55.279 54.840 0.130 0.000 0.848 256 L CB 3.789 45.982 42.059 0.223 0.000 1.334 256 L HN -0.709 7.557 8.230 0.061 0.000 0.407 257 L N 5.488 126.723 121.223 0.019 0.000 2.313 257 L HA 0.809 nan 4.340 nan 0.000 0.283 257 L C -2.399 174.473 176.870 0.005 0.000 1.013 257 L CA -1.520 53.322 54.840 0.003 0.000 0.816 257 L CB 3.013 45.075 42.059 0.006 0.000 1.236 257 L HN 0.355 8.588 8.230 0.006 0.000 0.419 258 L N 6.692 127.917 121.223 0.004 0.000 2.294 258 L HA 0.547 nan 4.340 nan 0.000 0.283 258 L C -1.585 175.265 176.870 -0.033 0.000 1.015 258 L CA -1.044 53.794 54.840 -0.003 0.000 0.831 258 L CB 1.324 43.398 42.059 0.025 0.000 1.217 258 L HN 0.714 8.946 8.230 0.003 0.000 0.420 259 V N 5.749 125.645 119.914 -0.030 0.000 2.347 259 V HA 0.570 nan 4.120 nan 0.000 0.280 259 V C -1.453 174.632 176.094 -0.015 0.000 1.021 259 V CA -0.800 61.473 62.300 -0.044 0.000 0.847 259 V CB 0.778 32.595 31.823 -0.011 0.000 0.990 259 V HN 1.088 9.274 8.190 -0.008 0.000 0.444 260 M N 6.158 125.746 119.600 -0.020 0.000 2.263 260 M HA 0.451 nan 4.480 nan 0.000 0.295 260 M C 0.125 176.441 176.300 0.026 0.000 1.028 260 M CA -1.047 54.246 55.300 -0.012 0.000 0.921 260 M CB 3.948 36.513 32.600 -0.057 0.000 1.601 260 M HN 0.765 9.033 8.290 -0.037 0.000 0.440 261 G N 2.745 111.571 108.800 0.042 0.000 2.249 261 G HA2 -0.480 nan 3.960 nan 0.000 0.273 261 G HA3 -0.480 nan 3.960 nan 0.000 0.273 261 G C -1.885 173.078 174.900 0.104 0.000 1.036 261 G CA 0.940 46.079 45.100 0.065 0.000 0.824 261 G HN 0.460 8.772 8.290 0.036 0.000 0.504 262 T N -2.341 112.286 114.554 0.120 0.000 2.838 262 T HA 0.422 nan 4.350 nan 0.000 0.292 262 T C -0.486 174.302 174.700 0.145 0.000 1.113 262 T CA -1.712 60.492 62.100 0.174 0.000 1.008 262 T CB 3.403 72.455 68.868 0.307 0.000 1.259 262 T HN -0.620 7.638 8.240 0.102 0.044 0.520 263 S N 1.272 117.065 115.700 0.156 0.000 2.348 263 S HA -0.028 nan 4.470 nan 0.000 0.219 263 S C 2.007 176.683 174.600 0.127 0.000 1.033 263 S CA 2.209 60.483 58.200 0.123 0.000 0.974 263 S CB 0.300 63.560 63.200 0.099 0.000 0.868 263 S HN 0.427 8.800 8.310 0.105 0.000 0.459 264 L N -3.188 118.126 121.223 0.151 0.000 4.610 264 L HA -0.188 4.152 4.340 0.000 0.000 0.397 264 L C -0.418 176.507 176.870 0.092 0.000 0.806 264 L CA 0.513 55.427 54.840 0.124 0.000 2.169 264 L CB -1.576 40.555 42.059 0.119 0.000 1.402 264 L HN 0.041 nan 8.230 nan 0.000 0.603 265 Q N -1.783 118.069 119.800 0.086 0.000 2.350 265 Q HA 0.044 nan 4.340 nan 0.000 0.225 265 Q C -0.205 175.827 176.000 0.052 0.000 0.878 265 Q CA -0.042 55.800 55.803 0.065 0.000 0.935 265 Q CB 1.992 30.768 28.738 0.063 0.000 1.099 265 Q HN -0.147 8.188 8.270 0.086 -0.014 0.527 266 V N 1.961 121.905 119.914 0.050 0.000 2.383 266 V HA 0.290 nan 4.120 nan 0.000 0.275 266 V C 0.883 176.978 176.094 0.001 0.000 1.036 266 V CA -1.375 60.939 62.300 0.023 0.000 0.889 266 V CB 0.873 32.704 31.823 0.012 0.000 0.985 266 V HN -0.610 7.617 8.190 0.062 0.000 0.459 267 Q N 7.722 127.524 119.800 0.003 0.000 2.221 267 Q HA -0.388 nan 4.340 nan 0.000 0.220 267 Q C -0.168 175.809 176.000 -0.038 0.000 1.057 267 Q CA 4.705 60.504 55.803 -0.007 0.000 0.949 267 Q CB -2.886 25.853 28.738 0.002 0.000 1.077 267 Q HN 0.942 9.211 8.270 -0.001 0.000 0.436 268 P HA -0.246 nan 4.420 nan 0.000 0.205 268 P C 1.678 178.934 177.300 -0.073 0.000 1.164 268 P CA 2.759 65.743 63.100 -0.192 0.000 0.938 268 P CB -0.298 31.140 31.700 -0.437 0.000 0.777 269 F N -4.526 115.377 119.950 -0.078 0.000 2.325 269 F HA -0.118 nan 4.527 nan 0.000 0.299 269 F C 1.661 177.394 175.800 -0.111 0.000 1.090 269 F CA 0.371 58.306 58.000 -0.108 0.000 1.392 269 F CB -1.314 37.654 39.000 -0.055 0.000 1.053 269 F HN -0.635 7.451 8.300 -0.357 0.000 0.521 270 A N 0.040 122.925 122.820 0.108 0.000 1.915 270 A HA -0.468 nan 4.320 nan 0.000 0.220 270 A C 2.187 179.760 177.584 -0.019 0.000 1.198 270 A CA 3.475 55.537 52.037 0.042 0.000 0.647 270 A CB -1.031 17.987 19.000 0.031 0.000 0.825 270 A HN -0.280 7.923 8.150 0.088 0.000 0.456 271 S N -1.402 114.273 115.700 -0.042 0.000 2.348 271 S HA -0.312 nan 4.470 nan 0.000 0.221 271 S C 2.146 176.618 174.600 -0.214 0.000 1.033 271 S CA 3.316 61.456 58.200 -0.099 0.000 1.010 271 S CB -0.356 62.792 63.200 -0.086 0.000 0.891 271 S HN -0.658 7.642 8.310 -0.019 -0.000 0.442 272 L N 0.600 121.641 121.223 -0.303 0.000 2.013 272 L HA -0.374 nan 4.340 nan 0.000 0.212 272 L C 2.592 179.135 176.870 -0.546 0.000 1.073 272 L CA 2.890 57.313 54.840 -0.694 0.000 0.753 272 L CB -0.384 41.251 42.059 -0.708 0.000 0.890 272 L HN -0.981 7.143 8.230 -0.177 0.000 0.432 273 I N -1.201 119.223 120.570 -0.243 0.000 2.194 273 I HA -0.555 nan 4.170 nan 0.000 0.246 273 I C 1.519 177.573 176.117 -0.106 0.000 1.093 273 I CA 4.152 65.379 61.300 -0.121 0.000 1.355 273 I CB -0.474 37.487 38.000 -0.065 0.000 1.046 273 I HN 0.527 8.638 8.210 -0.166 0.000 0.413 274 S N -2.769 112.859 115.700 -0.120 0.000 2.603 274 S HA -0.094 nan 4.470 nan 0.000 0.220 274 S C 0.388 174.934 174.600 -0.089 0.000 0.967 274 S CA 1.965 60.112 58.200 -0.088 0.000 0.920 274 S CB -0.620 62.537 63.200 -0.072 0.000 0.773 274 S HN -0.419 7.813 8.310 -0.130 0.000 0.529 275 K N 1.083 121.390 120.400 -0.155 0.000 2.379 275 K HA -0.056 nan 4.320 nan 0.000 0.194 275 K C -0.203 176.410 176.600 0.022 0.000 1.031 275 K CA -0.205 56.001 56.287 -0.134 0.000 1.037 275 K CB 0.260 32.555 32.500 -0.341 0.000 0.824 275 K HN -0.289 7.602 8.250 -0.241 0.215 0.516 276 A N 1.585 124.457 122.820 0.088 0.000 2.466 276 A HA 0.112 nan 4.320 nan 0.000 0.238 276 A C -1.888 175.748 177.584 0.086 0.000 1.074 276 A CA -1.310 50.837 52.037 0.183 0.000 0.774 276 A CB -0.944 18.149 19.000 0.154 0.000 1.015 276 A HN -0.709 7.408 8.150 0.013 0.040 0.498 277 P HA -0.019 nan 4.420 nan 0.000 0.267 277 P C 0.711 178.043 177.300 0.052 0.000 1.200 277 P CA -0.274 62.860 63.100 0.057 0.000 0.772 277 P CB 0.581 32.312 31.700 0.052 0.000 0.855 278 L N 2.244 123.502 121.223 0.059 0.000 2.137 278 L HA -0.250 nan 4.340 nan 0.000 0.213 278 L C 0.845 177.806 176.870 0.151 0.000 1.085 278 L CA 2.728 57.626 54.840 0.096 0.000 0.760 278 L CB -1.160 40.950 42.059 0.084 0.000 0.893 278 L HN 0.389 8.649 8.230 0.050 0.000 0.434 279 S N -4.747 111.019 115.700 0.109 0.000 2.540 279 S HA 0.022 nan 4.470 nan 0.000 0.218 279 S C -0.648 173.968 174.600 0.027 0.000 0.977 279 S CA 0.160 58.434 58.200 0.124 0.000 0.918 279 S CB 0.633 63.897 63.200 0.107 0.000 0.806 279 S HN -0.276 8.035 8.310 0.078 0.045 0.496 280 T N 7.034 121.592 114.554 0.006 0.000 2.769 280 T HA 0.262 nan 4.350 nan 0.000 0.293 280 T C -2.152 172.472 174.700 -0.127 0.000 0.931 280 T CA -0.359 61.725 62.100 -0.027 0.000 1.139 280 T CB -0.150 68.726 68.868 0.014 0.000 0.881 280 T HN -0.548 7.549 8.240 0.028 0.160 0.532 281 P HA 0.205 nan 4.420 nan 0.000 0.269 281 P C -1.712 175.487 177.300 -0.169 0.000 1.215 281 P CA 0.073 62.991 63.100 -0.303 0.000 0.780 281 P CB 0.542 31.913 31.700 -0.548 0.000 0.898 282 R N -1.212 119.200 120.500 -0.146 0.000 2.538 282 R HA 0.831 nan 4.340 nan 0.000 0.292 282 R C -2.032 174.265 176.300 -0.005 0.000 1.008 282 R CA -0.784 55.275 56.100 -0.068 0.000 0.896 282 R CB 3.580 33.828 30.300 -0.087 0.000 1.187 282 R HN 0.316 8.476 8.270 -0.185 0.000 0.440 283 L N 4.110 125.347 121.223 0.024 0.000 2.333 283 L HA 0.864 nan 4.340 nan 0.000 0.280 283 L C -2.819 174.095 176.870 0.073 0.000 1.004 283 L CA -1.256 53.620 54.840 0.059 0.000 0.820 283 L CB 3.653 45.716 42.059 0.008 0.000 1.247 283 L HN 0.556 8.791 8.230 0.009 0.000 0.416 284 L N 7.695 128.993 121.223 0.125 0.000 2.287 284 L HA 0.797 nan 4.340 nan 0.000 0.287 284 L C -2.332 174.572 176.870 0.055 0.000 1.022 284 L CA -1.252 53.642 54.840 0.090 0.000 0.814 284 L CB 2.811 44.951 42.059 0.134 0.000 1.217 284 L HN 1.072 9.296 8.230 0.169 0.107 0.420 285 I N 7.501 128.096 120.570 0.041 0.000 2.411 285 I HA 0.468 nan 4.170 nan 0.000 0.284 285 I C -2.306 173.858 176.117 0.077 0.000 1.012 285 I CA -0.760 60.589 61.300 0.082 0.000 1.119 285 I CB 0.879 38.850 38.000 -0.048 0.000 1.261 285 I HN 0.800 9.023 8.210 0.021 0.000 0.448 286 N N 5.600 124.362 118.700 0.103 0.000 2.859 286 N HA 0.188 nan 4.740 nan 0.000 0.250 286 N C -0.452 175.088 175.510 0.049 0.000 1.341 286 N CA -0.396 52.694 53.050 0.067 0.000 0.881 286 N CB 3.668 42.180 38.487 0.042 0.000 1.516 286 N HN -0.302 8.159 8.380 0.135 0.000 0.503 287 K N 2.216 122.639 120.400 0.038 0.000 2.147 287 K HA -0.282 nan 4.320 nan 0.000 0.205 287 K C -1.113 175.470 176.600 -0.030 0.000 1.049 287 K CA 2.321 58.612 56.287 0.006 0.000 0.936 287 K CB 0.234 32.743 32.500 0.014 0.000 0.722 287 K HN 0.520 8.797 8.250 0.045 0.000 0.446 288 E N -5.822 114.366 120.200 -0.021 0.000 2.430 288 E HA 0.080 nan 4.350 nan 0.000 0.279 288 E C -2.000 174.581 176.600 -0.032 0.000 1.003 288 E CA -1.398 54.979 56.400 -0.038 0.000 0.801 288 E CB 2.127 31.814 29.700 -0.021 0.000 1.313 288 E HN -0.605 7.724 8.360 -0.001 0.030 0.459 289 K N -0.188 120.186 120.400 -0.043 0.000 2.182 289 K HA 0.192 nan 4.320 nan 0.000 0.262 289 K C -0.728 175.882 176.600 0.017 0.000 0.957 289 K CA -1.100 55.177 56.287 -0.017 0.000 0.842 289 K CB 1.132 33.602 32.500 -0.050 0.000 1.099 289 K HN 0.160 8.394 8.250 -0.027 0.000 0.438 290 A N 3.295 126.142 122.820 0.044 0.000 2.425 290 A HA 0.070 nan 4.320 nan 0.000 0.249 290 A C 0.459 178.071 177.584 0.046 0.000 1.084 290 A CA 0.340 52.403 52.037 0.044 0.000 0.781 290 A CB 0.526 19.558 19.000 0.054 0.000 1.019 290 A HN 0.325 8.510 8.150 0.058 0.000 0.490 291 G N 0.598 109.419 108.800 0.035 0.000 2.580 291 G HA2 -0.019 nan 3.960 nan 0.000 0.278 291 G HA3 -0.019 nan 3.960 nan 0.000 0.278 291 G C -0.884 174.040 174.900 0.039 0.000 1.212 291 G CA -0.526 44.594 45.100 0.035 0.000 0.939 291 G HN 0.115 8.423 8.290 0.030 0.000 0.513 292 Q N -0.698 119.125 119.800 0.038 0.000 2.421 292 Q HA -0.001 nan 4.340 nan 0.000 0.255 292 Q C -0.826 175.195 176.000 0.036 0.000 1.013 292 Q CA 0.319 56.145 55.803 0.039 0.000 0.895 292 Q CB 0.620 29.380 28.738 0.036 0.000 1.271 292 Q HN -0.069 8.221 8.270 0.034 0.000 0.460 293 S N 0.335 116.059 115.700 0.039 0.000 3.624 293 S HA -0.065 nan 4.470 nan 0.000 0.244 293 S C -0.604 174.020 174.600 0.040 0.000 1.115 293 S CA -0.155 58.066 58.200 0.035 0.000 0.820 293 S CB 0.931 64.151 63.200 0.034 0.000 0.964 293 S HN 0.106 8.442 8.310 0.043 0.000 0.508 294 D N 3.539 123.970 120.400 0.051 0.000 2.373 294 D HA 0.508 nan 4.640 nan 0.000 0.227 294 D C -1.245 175.111 176.300 0.094 0.000 1.091 294 D CA -2.536 51.505 54.000 0.069 0.000 0.840 294 D CB 2.151 42.995 40.800 0.073 0.000 1.060 294 D HN -0.086 8.316 8.370 0.052 0.000 0.502 295 P HA -0.108 nan 4.420 nan 0.000 0.219 295 P C 0.683 178.064 177.300 0.136 0.000 1.150 295 P CA 1.244 64.401 63.100 0.095 0.000 0.814 295 P CB 0.368 32.117 31.700 0.081 0.000 0.787 296 F N -0.674 119.279 119.950 0.004 0.000 2.113 296 F HA -0.276 nan 4.527 nan 0.000 0.297 296 F C 1.109 176.911 175.800 0.002 0.000 1.103 296 F CA 3.535 61.537 58.000 0.003 0.000 1.248 296 F CB 0.138 39.139 39.000 0.003 0.000 0.999 296 F HN -0.481 8.107 8.300 0.287 -0.116 0.475 297 L N -2.431 119.002 121.223 0.352 0.000 2.141 297 L HA -0.264 nan 4.340 nan 0.000 0.209 297 L C 2.371 179.283 176.870 0.070 0.000 1.094 297 L CA 2.398 57.360 54.840 0.203 0.000 0.763 297 L CB -0.860 41.297 42.059 0.165 0.000 0.908 297 L HN -0.101 8.675 8.230 0.344 -0.339 0.437 298 G N -1.203 107.635 108.800 0.063 0.000 2.422 298 G HA2 -0.369 nan 3.960 nan 0.000 0.218 298 G HA3 -0.369 nan 3.960 nan 0.000 0.218 298 G C 1.137 176.028 174.900 -0.016 0.000 1.146 298 G CA 2.173 47.288 45.100 0.024 0.000 0.769 298 G HN -0.021 8.211 8.290 0.098 0.117 0.547 299 M N 1.751 121.321 119.600 -0.049 0.000 2.159 299 M HA -0.411 nan 4.480 nan 0.000 0.263 299 M C 2.182 178.413 176.300 -0.114 0.000 1.063 299 M CA 3.924 59.166 55.300 -0.097 0.000 1.110 299 M CB -0.103 32.402 32.600 -0.159 0.000 1.374 299 M HN -0.414 7.751 8.290 -0.035 0.104 0.411 300 I N -0.333 120.156 120.570 -0.135 0.000 2.286 300 I HA -0.554 nan 4.170 nan 0.000 0.248 300 I C 2.203 178.283 176.117 -0.061 0.000 1.115 300 I CA 3.540 64.774 61.300 -0.110 0.000 1.392 300 I CB -0.320 37.625 38.000 -0.091 0.000 1.065 300 I HN -0.621 7.499 8.210 -0.149 0.000 0.418 301 M N -2.078 117.497 119.600 -0.041 0.000 2.200 301 M HA -0.164 nan 4.480 nan 0.000 0.265 301 M C 2.684 178.959 176.300 -0.041 0.000 1.066 301 M CA 1.377 56.656 55.300 -0.034 0.000 1.127 301 M CB -1.474 31.113 32.600 -0.020 0.000 1.379 301 M HN -0.259 7.913 8.290 -0.034 0.097 0.420 302 G N -1.601 107.175 108.800 -0.040 0.000 2.422 302 G HA2 -0.184 nan 3.960 nan 0.000 0.218 302 G HA3 -0.184 nan 3.960 nan 0.000 0.218 302 G C 1.327 176.204 174.900 -0.039 0.000 1.140 302 G CA 1.747 46.825 45.100 -0.037 0.000 0.775 302 G HN 0.121 8.289 8.290 -0.042 0.097 0.545 303 L N -1.575 119.619 121.223 -0.049 0.000 2.567 303 L HA 0.134 nan 4.340 nan 0.000 0.225 303 L C 0.457 177.303 176.870 -0.040 0.000 1.119 303 L CA 0.245 55.057 54.840 -0.047 0.000 0.871 303 L CB 0.388 42.409 42.059 -0.064 0.000 1.036 303 L HN -0.247 7.816 8.230 -0.058 0.133 0.459 304 G N -3.034 105.743 108.800 -0.039 0.000 4.100 304 G HA2 0.268 nan 3.960 nan 0.000 0.294 304 G HA3 0.268 nan 3.960 nan 0.000 0.294 304 G C 0.060 174.940 174.900 -0.032 0.000 1.040 304 G CA -0.590 44.490 45.100 -0.034 0.000 0.829 304 G HN -0.704 7.377 8.290 -0.042 0.184 0.505 305 G N -0.254 108.529 108.800 -0.028 0.000 2.131 305 G HA2 -0.310 nan 3.960 nan 0.000 0.223 305 G HA3 -0.310 nan 3.960 nan 0.000 0.223 305 G C -0.154 174.708 174.900 -0.063 0.000 0.990 305 G CA -0.336 44.745 45.100 -0.031 0.000 0.671 305 G HN -0.523 7.752 8.290 -0.024 0.000 0.521 306 G N -1.445 107.316 108.800 -0.066 0.000 2.699 306 G HA2 -0.045 nan 3.960 nan 0.000 0.246 306 G HA3 -0.045 nan 3.960 nan 0.000 0.246 306 G C 0.203 175.010 174.900 -0.155 0.000 1.219 306 G CA -0.864 44.183 45.100 -0.088 0.000 0.866 306 G HN -0.180 8.079 8.290 -0.052 0.000 0.572 307 M N -0.661 118.809 119.600 -0.218 0.000 2.248 307 M HA -0.125 nan 4.480 nan 0.000 0.345 307 M C -0.658 175.339 176.300 -0.505 0.000 1.243 307 M CA 0.407 55.431 55.300 -0.461 0.000 1.090 307 M CB -0.373 31.874 32.600 -0.589 0.000 1.683 307 M HN 0.154 8.352 8.290 -0.152 0.000 0.450 308 D N 4.676 124.714 120.400 -0.603 0.000 2.358 308 D HA 0.253 nan 4.640 nan 0.000 0.253 308 D C -1.365 174.703 176.300 -0.387 0.000 1.288 308 D CA -0.804 52.978 54.000 -0.363 0.000 0.950 308 D CB 0.653 41.356 40.800 -0.161 0.000 1.197 308 D HN 0.269 8.571 8.370 -0.708 -0.358 0.550 309 F N 1.648 121.580 119.950 -0.030 0.000 2.317 309 F HA -0.049 nan 4.527 nan 0.000 0.290 309 F C 0.001 175.790 175.800 -0.018 0.000 1.075 309 F CA 1.415 59.395 58.000 -0.032 0.000 1.380 309 F CB 0.730 39.715 39.000 -0.026 0.000 1.093 309 F HN 0.107 8.319 8.300 -0.148 0.000 0.524 310 D N -2.851 117.664 120.400 0.192 0.000 2.385 310 D HA 0.221 nan 4.640 nan 0.000 0.254 310 D C -0.876 175.463 176.300 0.064 0.000 1.053 310 D CA -0.752 53.312 54.000 0.108 0.000 0.992 310 D CB 1.479 42.336 40.800 0.095 0.000 1.145 310 D HN -0.455 8.046 8.370 0.218 0.000 0.523 311 S N -2.031 113.698 115.700 0.048 0.000 3.327 311 S HA -0.235 nan 4.470 nan 0.000 0.844 311 S C 0.924 175.544 174.600 0.034 0.000 1.110 311 S CA 0.157 58.378 58.200 0.034 0.000 1.105 311 S CB 0.392 63.610 63.200 0.029 0.000 0.752 311 S HN -0.072 8.266 8.310 0.046 0.000 0.279 312 K N 3.543 123.959 120.400 0.026 0.000 2.227 312 K HA -0.310 nan 4.320 nan 0.000 0.208 312 K C 0.520 177.138 176.600 0.029 0.000 1.045 312 K CA 2.455 58.755 56.287 0.023 0.000 0.931 312 K CB -0.215 32.293 32.500 0.013 0.000 0.721 312 K HN 0.452 8.714 8.250 0.021 0.000 0.469 313 K N -3.164 117.258 120.400 0.037 0.000 2.358 313 K HA 0.006 nan 4.320 nan 0.000 0.197 313 K C -0.249 176.427 176.600 0.128 0.000 1.025 313 K CA -0.624 55.694 56.287 0.052 0.000 1.104 313 K CB 0.951 33.469 32.500 0.031 0.000 0.855 313 K HN -0.346 7.877 8.250 0.032 0.046 0.531 314 A N -0.062 122.819 122.820 0.101 0.000 2.531 314 A HA -0.138 nan 4.320 nan 0.000 0.236 314 A C -1.075 176.618 177.584 0.183 0.000 1.062 314 A CA 1.558 53.653 52.037 0.098 0.000 0.760 314 A CB 0.335 19.363 19.000 0.046 0.000 0.995 314 A HN -0.025 8.011 8.150 0.066 0.154 0.501 315 Y N -3.051 117.222 120.300 -0.046 0.000 2.831 315 Y HA 0.197 nan 4.550 nan 0.000 0.296 315 Y C -1.494 174.370 175.900 -0.060 0.000 0.958 315 Y CA 0.165 58.239 58.100 -0.044 0.000 1.179 315 Y CB 1.467 39.901 38.460 -0.044 0.000 1.436 315 Y HN 0.317 8.512 8.280 -0.143 0.000 0.588 316 R N -3.566 116.554 120.500 -0.634 0.000 2.495 316 R HA 0.232 nan 4.340 nan 0.000 0.299 316 R C -1.401 174.683 176.300 -0.360 0.000 0.902 316 R CA -0.088 55.689 56.100 -0.538 0.000 1.103 316 R CB 1.440 31.259 30.300 -0.803 0.000 1.750 316 R HN -0.060 7.825 8.270 -0.642 0.000 0.480 317 D N 0.650 120.863 120.400 -0.312 0.000 2.192 317 D HA 0.591 nan 4.640 nan 0.000 0.246 317 D C -0.477 175.902 176.300 0.131 0.000 1.042 317 D CA -0.165 53.727 54.000 -0.180 0.000 0.847 317 D CB 2.185 42.679 40.800 -0.511 0.000 1.186 317 D HN -0.363 7.792 8.370 -0.359 0.000 0.461 318 V N 2.335 122.415 119.914 0.278 0.000 2.709 318 V HA 0.324 nan 4.120 nan 0.000 0.308 318 V C -1.854 174.377 176.094 0.229 0.000 1.062 318 V CA -1.421 61.039 62.300 0.266 0.000 0.901 318 V CB 4.131 36.018 31.823 0.106 0.000 1.003 318 V HN 0.682 9.002 8.190 0.216 0.000 0.425 319 A N 4.966 127.738 122.820 -0.080 0.000 2.330 319 A HA 0.677 nan 4.320 nan 0.000 0.313 319 A C -1.942 175.575 177.584 -0.110 0.000 1.124 319 A CA -1.196 50.626 52.037 -0.358 0.000 0.774 319 A CB 1.716 20.034 19.000 -1.137 0.000 1.198 319 A HN -0.014 8.118 8.150 -0.030 0.000 0.465 320 W N 6.137 127.323 121.300 -0.190 0.000 2.362 320 W HA 0.285 nan 4.660 nan 0.000 0.316 320 W C -2.534 173.902 176.519 -0.137 0.000 1.024 320 W CA -1.096 56.166 57.345 -0.138 0.000 1.270 320 W CB 2.196 31.591 29.460 -0.109 0.000 1.273 320 W HN 0.956 9.210 8.180 0.124 0.000 0.424 321 L N 8.522 129.524 121.223 -0.369 0.000 2.255 321 L HA 0.430 nan 4.340 nan 0.000 0.289 321 L C -0.302 176.312 176.870 -0.427 0.000 1.046 321 L CA -0.676 53.996 54.840 -0.279 0.000 0.816 321 L CB -0.220 41.685 42.059 -0.258 0.000 1.197 321 L HN 0.296 8.198 8.230 -0.548 0.000 0.427 322 G N 3.153 111.879 108.800 -0.123 0.000 2.325 322 G HA2 -0.051 nan 3.960 nan 0.000 0.295 322 G HA3 -0.051 nan 3.960 nan 0.000 0.295 322 G C -2.387 172.642 174.900 0.215 0.000 1.274 322 G CA -0.322 44.755 45.100 -0.038 0.000 0.857 322 G HN -0.209 8.001 8.290 0.052 0.111 0.499 323 E N -1.197 119.138 120.200 0.226 0.000 2.414 323 E HA 0.069 nan 4.350 nan 0.000 0.263 323 E C 1.079 177.787 176.600 0.178 0.000 1.000 323 E CA -0.374 56.128 56.400 0.170 0.000 0.914 323 E CB 0.454 30.231 29.700 0.129 0.000 0.948 323 E HN 0.053 8.534 8.360 0.202 0.000 0.444 324 C N 3.260 122.613 119.300 0.088 0.000 2.413 324 C HA -0.341 nan 4.460 nan 0.000 0.276 324 C C 1.491 176.448 174.990 -0.054 0.000 1.248 324 C CA 4.422 63.444 59.018 0.007 0.000 1.742 324 C CB -0.788 26.943 27.740 -0.014 0.000 2.017 324 C HN 0.822 9.098 8.230 0.078 0.000 0.481 325 D N -1.039 119.365 120.400 0.005 0.000 2.117 325 D HA -0.273 nan 4.640 nan 0.000 0.197 325 D C 1.916 178.191 176.300 -0.042 0.000 0.987 325 D CA 4.012 58.014 54.000 0.003 0.000 0.829 325 D CB -0.853 39.986 40.800 0.066 0.000 0.961 325 D HN 0.266 8.655 8.370 0.043 0.007 0.460 326 Q N -1.295 118.509 119.800 0.007 0.000 2.119 326 Q HA -0.213 nan 4.340 nan 0.000 0.201 326 Q C 2.458 178.261 176.000 -0.328 0.000 0.972 326 Q CA 2.724 58.536 55.803 0.015 0.000 0.847 326 Q CB -0.524 28.373 28.738 0.265 0.000 0.903 326 Q HN 0.190 8.502 8.270 0.070 0.000 0.433 327 G N -0.628 107.801 108.800 -0.619 0.000 2.402 327 G HA2 -0.323 nan 3.960 nan 0.000 0.216 327 G HA3 -0.323 nan 3.960 nan 0.000 0.216 327 G C 1.183 175.564 174.900 -0.864 0.000 1.162 327 G CA 2.119 46.388 45.100 -1.386 0.000 0.777 327 G HN 0.165 8.221 8.290 -0.250 0.083 0.539 328 C N 2.406 121.367 119.300 -0.565 0.000 2.435 328 C HA -0.151 nan 4.460 nan 0.000 0.279 328 C C 2.229 177.035 174.990 -0.307 0.000 1.321 328 C CA 3.466 62.126 59.018 -0.597 0.000 1.752 328 C CB -1.729 25.729 27.740 -0.470 0.000 1.959 328 C HN 0.012 7.986 8.230 -0.426 0.000 0.500 329 L N -0.094 121.014 121.223 -0.191 0.000 2.056 329 L HA -0.427 nan 4.340 nan 0.000 0.207 329 L C 1.953 178.757 176.870 -0.109 0.000 1.078 329 L CA 3.385 58.185 54.840 -0.066 0.000 0.749 329 L CB -0.537 41.506 42.059 -0.026 0.000 0.901 329 L HN 0.144 8.150 8.230 -0.217 0.095 0.433 330 A N -0.677 122.003 122.820 -0.233 0.000 1.933 330 A HA -0.297 nan 4.320 nan 0.000 0.218 330 A C 2.084 179.532 177.584 -0.226 0.000 1.175 330 A CA 3.110 55.021 52.037 -0.211 0.000 0.628 330 A CB -0.902 17.924 19.000 -0.291 0.000 0.814 330 A HN -0.011 7.939 8.150 -0.333 0.000 0.444 331 L N -1.760 119.262 121.223 -0.335 0.000 2.027 331 L HA -0.352 nan 4.340 nan 0.000 0.206 331 L C 1.863 178.652 176.870 -0.135 0.000 1.074 331 L CA 2.513 57.189 54.840 -0.273 0.000 0.745 331 L CB -0.151 41.668 42.059 -0.399 0.000 0.898 331 L HN -0.157 7.705 8.230 -0.452 0.097 0.433 332 A N -1.658 121.174 122.820 0.020 0.000 1.908 332 A HA -0.416 nan 4.320 nan 0.000 0.218 332 A C 1.775 179.367 177.584 0.014 0.000 1.181 332 A CA 3.392 55.515 52.037 0.144 0.000 0.627 332 A CB -1.107 18.092 19.000 0.330 0.000 0.818 332 A HN 0.243 8.274 8.150 -0.021 0.107 0.445 333 E N -0.753 119.444 120.200 -0.004 0.000 2.058 333 E HA -0.287 nan 4.350 nan 0.000 0.194 333 E C 2.893 179.465 176.600 -0.046 0.000 0.997 333 E CA 2.474 58.870 56.400 -0.007 0.000 0.801 333 E CB -0.408 29.287 29.700 -0.007 0.000 0.746 333 E HN -0.285 8.052 8.360 -0.018 0.013 0.450 334 L N -2.132 119.039 121.223 -0.087 0.000 2.131 334 L HA -0.267 nan 4.340 nan 0.000 0.210 334 L C 1.370 178.146 176.870 -0.156 0.000 1.092 334 L CA 2.356 57.136 54.840 -0.100 0.000 0.759 334 L CB -0.018 41.979 42.059 -0.104 0.000 0.903 334 L HN -0.584 7.588 8.230 -0.097 0.000 0.435 335 L N -6.120 114.932 121.223 -0.284 0.000 2.554 335 L HA -0.131 nan 4.340 nan 0.000 0.226 335 L C 0.285 176.976 176.870 -0.299 0.000 1.137 335 L CA 0.075 54.613 54.840 -0.504 0.000 0.863 335 L CB 0.396 41.692 42.059 -1.271 0.000 0.985 335 L HN -0.437 7.504 8.230 -0.276 0.123 0.451 336 G N -3.142 105.608 108.800 -0.083 0.000 2.143 336 G HA2 -0.262 nan 3.960 nan 0.000 0.248 336 G HA3 -0.262 nan 3.960 nan 0.000 0.248 336 G C 0.411 175.480 174.900 0.282 0.000 0.991 336 G CA 0.727 45.879 45.100 0.087 0.000 0.689 336 G HN -0.494 7.553 8.290 -0.097 0.185 0.522 337 W N -2.345 118.959 121.300 0.007 0.000 3.220 337 W HA 0.326 nan 4.660 nan 0.000 0.328 337 W C 0.328 176.852 176.519 0.008 0.000 1.205 337 W CA -3.381 53.960 57.345 -0.006 0.000 1.773 337 W CB -0.839 28.607 29.460 -0.025 0.000 1.086 337 W HN 0.263 8.470 8.180 0.118 0.044 0.622 338 K N 0.787 121.312 120.400 0.209 0.000 2.020 338 K HA -0.504 nan 4.320 nan 0.000 0.212 338 K C 1.622 178.280 176.600 0.097 0.000 1.050 338 K CA 4.381 60.748 56.287 0.133 0.000 0.929 338 K CB -0.809 31.740 32.500 0.082 0.000 0.714 338 K HN -0.450 7.843 8.250 0.175 0.062 0.443 339 K N -2.189 118.258 120.400 0.077 0.000 2.057 339 K HA -0.288 nan 4.320 nan 0.000 0.207 339 K C 1.836 178.449 176.600 0.021 0.000 1.049 339 K CA 2.918 59.229 56.287 0.041 0.000 0.931 339 K CB -0.869 31.651 32.500 0.032 0.000 0.714 339 K HN 0.124 8.425 8.250 0.086 0.000 0.440 340 E N -0.361 119.854 120.200 0.025 0.000 2.110 340 E HA -0.276 nan 4.350 nan 0.000 0.193 340 E C 2.246 178.827 176.600 -0.032 0.000 0.988 340 E CA 2.775 59.157 56.400 -0.029 0.000 0.804 340 E CB -0.317 29.334 29.700 -0.083 0.000 0.745 340 E HN -0.276 8.119 8.360 0.058 0.000 0.458 341 L N -0.134 121.108 121.223 0.030 0.000 2.027 341 L HA -0.344 nan 4.340 nan 0.000 0.206 341 L C 1.672 178.541 176.870 -0.002 0.000 1.074 341 L CA 3.376 58.245 54.840 0.048 0.000 0.745 341 L CB -0.171 41.987 42.059 0.164 0.000 0.898 341 L HN 0.133 8.404 8.230 0.085 0.010 0.433 342 E N -0.862 119.342 120.200 0.008 0.000 2.085 342 E HA -0.486 nan 4.350 nan 0.000 0.194 342 E C 2.462 179.019 176.600 -0.072 0.000 0.994 342 E CA 3.548 59.933 56.400 -0.025 0.000 0.801 342 E CB -0.477 29.221 29.700 -0.002 0.000 0.743 342 E HN 0.145 8.527 8.360 0.037 0.000 0.453 343 D N -0.300 120.063 120.400 -0.062 0.000 2.144 343 D HA -0.199 nan 4.640 nan 0.000 0.199 343 D C 2.413 178.635 176.300 -0.130 0.000 0.984 343 D CA 3.097 57.049 54.000 -0.080 0.000 0.834 343 D CB -0.314 40.450 40.800 -0.060 0.000 0.955 343 D HN 0.057 8.404 8.370 -0.038 0.000 0.465 344 L N 0.476 121.608 121.223 -0.152 0.000 2.005 344 L HA -0.240 nan 4.340 nan 0.000 0.207 344 L C 1.593 178.195 176.870 -0.447 0.000 1.072 344 L CA 3.355 58.061 54.840 -0.224 0.000 0.744 344 L CB -0.217 41.747 42.059 -0.159 0.000 0.895 344 L HN -0.159 7.912 8.230 -0.115 0.091 0.433 345 V N -0.366 119.249 119.914 -0.498 0.000 2.287 345 V HA -0.548 nan 4.120 nan 0.000 0.248 345 V C 2.130 177.867 176.094 -0.595 0.000 1.053 345 V CA 4.663 66.490 62.300 -0.787 0.000 1.027 345 V CB -1.169 30.368 31.823 -0.478 0.000 0.646 345 V HN 0.142 8.145 8.190 -0.312 0.000 0.447 346 R N -0.908 119.406 120.500 -0.310 0.000 2.083 346 R HA -0.408 nan 4.340 nan 0.000 0.237 346 R C 1.956 178.180 176.300 -0.127 0.000 1.137 346 R CA 3.688 59.690 56.100 -0.165 0.000 0.951 346 R CB -0.203 30.040 30.300 -0.095 0.000 0.851 346 R HN -0.144 7.973 8.270 -0.255 0.000 0.434 347 R N -1.173 119.239 120.500 -0.146 0.000 2.073 347 R HA -0.290 nan 4.340 nan 0.000 0.234 347 R C 2.354 178.603 176.300 -0.085 0.000 1.134 347 R CA 3.176 59.218 56.100 -0.097 0.000 0.952 347 R CB -0.303 29.942 30.300 -0.092 0.000 0.850 347 R HN -0.053 8.113 8.270 -0.175 0.000 0.433 348 E N -1.641 118.459 120.200 -0.166 0.000 2.106 348 E HA -0.239 nan 4.350 nan 0.000 0.192 348 E C 2.799 179.439 176.600 0.067 0.000 0.984 348 E CA 2.677 59.036 56.400 -0.067 0.000 0.806 348 E CB -0.614 28.985 29.700 -0.169 0.000 0.750 348 E HN 0.106 8.292 8.360 -0.290 0.000 0.458 349 H N -0.249 118.748 119.070 -0.121 0.000 2.387 349 H HA -0.170 nan 4.556 nan 0.000 0.299 349 H C 2.184 177.464 175.328 -0.079 0.000 1.090 349 H CA 2.305 58.314 56.048 -0.066 0.000 1.332 349 H CB -0.542 29.194 29.762 -0.043 0.000 1.386 349 H HN 0.163 8.383 8.280 -0.100 0.000 0.516 350 A N -1.118 121.736 122.820 0.056 0.000 1.930 350 A HA -0.252 nan 4.320 nan 0.000 0.217 350 A C 2.227 179.799 177.584 -0.019 0.000 1.175 350 A CA 3.092 55.132 52.037 0.004 0.000 0.627 350 A CB -0.944 18.053 19.000 -0.003 0.000 0.815 350 A HN -0.135 8.029 8.150 0.043 0.011 0.443 351 S N -0.027 115.667 115.700 -0.010 0.000 2.383 351 S HA -0.281 nan 4.470 nan 0.000 0.227 351 S C 2.029 176.597 174.600 -0.054 0.000 1.026 351 S CA 4.412 62.607 58.200 -0.009 0.000 0.981 351 S CB -0.274 62.942 63.200 0.027 0.000 0.818 351 S HN -0.294 7.931 8.310 0.001 0.085 0.472 352 I N 1.355 121.855 120.570 -0.116 0.000 2.226 352 I HA -0.473 nan 4.170 nan 0.000 0.245 352 I C 1.371 177.311 176.117 -0.295 0.000 1.100 352 I CA 3.746 64.844 61.300 -0.336 0.000 1.374 352 I CB -0.234 37.427 38.000 -0.566 0.000 1.057 352 I HN -0.081 8.092 8.210 -0.061 0.000 0.413 353 D N -0.503 119.785 120.400 -0.187 0.000 2.104 353 D HA -0.228 nan 4.640 nan 0.000 0.194 353 D C 2.412 178.659 176.300 -0.088 0.000 0.994 353 D CA 3.465 57.386 54.000 -0.131 0.000 0.830 353 D CB -0.368 40.384 40.800 -0.079 0.000 0.959 353 D HN -0.389 7.893 8.370 -0.146 0.000 0.452 354 A N -0.483 122.299 122.820 -0.063 0.000 1.972 354 A HA -0.167 nan 4.320 nan 0.000 0.219 354 A C 1.734 179.304 177.584 -0.024 0.000 1.169 354 A CA 2.681 54.698 52.037 -0.033 0.000 0.635 354 A CB -0.316 18.673 19.000 -0.017 0.000 0.810 354 A HN -0.235 7.795 8.150 -0.064 0.082 0.446 355 Q N -3.486 116.295 119.800 -0.031 0.000 2.247 355 Q HA 0.216 nan 4.340 nan 0.000 0.205 355 Q C -0.633 175.372 176.000 0.008 0.000 0.896 355 Q CA -1.537 54.269 55.803 0.005 0.000 0.950 355 Q CB -0.944 27.818 28.738 0.040 0.000 1.054 355 Q HN -0.341 7.802 8.270 -0.060 0.090 0.482 356 S N 0.000 115.682 115.700 -0.029 0.000 2.498 356 S HA 0.000 nan 4.470 nan 0.000 0.327 356 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 356 S CB 0.000 63.200 63.200 0.000 0.000 0.593 356 S HN 0.000 8.076 8.310 -0.049 0.204 0.517